#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duf n PHE 5 N 0.00 2.92 -5.15 1.09 7.35 -1.26 -5.02 117.46 117.38 3duf n PHE 5 Ca 0.00 0.38 -0.29 0.00 -0.76 0.00 0.00 57.45 56.78 3duf n PHE 5 Cb 0.00 -2.55 -0.16 0.00 0.35 0.00 0.00 39.48 37.12 3duf n PHE 5 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3duf s GLN 6 N -1.54 1.92 0.08 -4.13 -1.52 -1.26 -5.13 119.66 108.08 3duf s GLN 6 Ca 0.57 -0.89 -0.13 0.00 -1.95 0.00 0.00 55.36 52.96 3duf s GLN 6 Cb -0.49 -1.88 -0.06 0.00 -0.22 0.00 0.00 33.01 30.36 3duf s GLN 6 CO 0.58 0.51 0.46 -0.06 -0.25 0.00 0.00 175.29 176.54 3duf s PHE 7 N -0.60 3.64 -0.47 0.91 0.40 -1.26 -4.98 117.98 115.63 3duf s PHE 7 Ca 0.09 0.96 -0.05 0.00 -0.60 0.00 0.00 56.93 57.33 3duf s PHE 7 Cb -0.09 -2.28 -0.14 0.00 0.51 0.00 0.00 43.02 41.02 3duf s PHE 7 CO -0.01 0.53 2.57 -0.35 0.70 0.00 0.00 175.22 178.66 3duf n PRO 8 N 1.16 1.90 0.05 0.24 -0.04 -1.26 -4.65 135.00 132.40 3duf n PRO 8 Ca -0.09 -1.11 -0.12 0.00 -0.04 0.00 0.00 63.50 62.14 3duf n PRO 8 Cb 0.52 -2.14 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 3duf n PRO 8 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3duf h PHE 9 N 4.71 -0.04 -0.12 0.54 0.04 -2.00 -2.43 116.94 117.65 3duf h PHE 9 Ca 0.33 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.10 3duf h PHE 9 Cb 0.71 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 3duf h PHE 9 CO 1.71 0.01 0.05 0.00 -0.60 0.00 0.00 178.31 179.48 3duf h ALA 10 N 0.89 1.88 0.00 2.45 0.00 -2.01 -0.94 119.26 121.52 3duf h ALA 10 Ca -0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3duf h ALA 10 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3duf h ALA 10 CO 0.01 0.10 -0.68 1.49 0.00 0.00 0.00 179.25 180.18 3duf h GLU 11 N 0.16 0.00 -0.14 0.00 4.81 -1.90 -3.04 114.58 114.47 3duf h GLU 11 Ca 0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3duf h GLU 11 Cb 0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3duf h GLU 11 CO -0.01 0.68 -0.03 0.37 -0.73 0.00 0.00 179.01 179.29 3duf h GLN 12 N 0.00 0.26 0.00 1.92 4.15 -0.69 -1.92 115.11 118.83 3duf h GLN 12 Ca -0.01 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 3duf h GLN 12 Cb 1.38 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.05 3duf h GLN 12 CO 0.09 0.55 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.31 3duf h LEU 13 N -0.04 0.00 0.00 -2.39 4.07 -1.46 -2.75 115.31 112.74 3duf h LEU 13 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 3duf h LEU 13 Cb 0.45 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 3duf h LEU 13 CO 0.01 0.16 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.09 3duf h GLU 14 N 0.00 0.00 -0.73 1.13 5.08 -1.41 -3.24 114.58 115.42 3duf h GLU 14 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3duf h GLU 14 Cb 0.38 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 3duf h GLU 14 CO 0.02 0.52 0.37 0.87 -1.00 0.00 0.00 179.01 179.79 3duf h LYS 15 N -1.00 0.61 -0.88 2.33 1.79 -1.39 -1.49 116.57 116.54 3duf h LYS 15 Ca -0.02 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3duf h LYS 15 Cb 0.57 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 3duf h LYS 15 CO -0.01 0.40 0.58 0.28 -1.08 0.00 0.00 179.45 179.62 3duf h VAL 16 N 0.63 1.20 0.00 0.50 2.07 -1.64 -1.68 116.25 117.33 3duf h VAL 16 Ca 0.36 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3duf h VAL 16 Cb 0.37 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3duf h VAL 16 CO -0.27 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.54 3duf h ALA 17 N 1.33 1.00 0.00 1.67 0.00 -1.46 -2.93 119.26 118.86 3duf h ALA 17 Ca 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3duf h ALA 17 Cb -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3duf h ALA 17 CO -0.08 0.00 -0.15 1.49 0.00 0.00 0.00 179.25 180.51 3duf h GLU 18 N 0.00 0.00 0.00 0.00 4.81 -0.30 -1.10 114.58 117.99 3duf h GLU 18 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3duf h GLU 18 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3duf h GLU 18 CO 0.00 0.15 0.00 1.04 -0.73 0.00 0.00 179.01 179.47 3duf n GLN 19 N -3.67 0.94 -3.17 1.92 1.13 -1.11 -4.16 117.38 109.26 3duf n GLN 19 Ca -0.02 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.81 3duf n GLN 19 Cb 0.27 -1.20 -0.05 0.00 0.11 0.00 0.00 30.24 29.37 3duf n GLN 19 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3duf n PHE 20 N -0.70 1.54 -2.72 1.08 3.01 -0.41 -5.04 117.46 114.22 3duf n PHE 20 Ca 0.09 -3.85 -0.32 0.00 1.01 0.00 0.00 57.45 54.37 3duf n PHE 20 Cb 0.04 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 39.02 3duf n PHE 20 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3duf s PRO 21 N -2.37 4.01 -0.02 -1.08 0.04 -1.26 -4.82 135.00 129.50 3duf s PRO 21 Ca 0.41 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 3duf s PRO 21 Cb 0.25 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3duf s PRO 21 CO -0.09 -0.09 1.46 0.99 0.04 0.00 0.00 177.00 179.31 3duf s THR 22 N -2.35 3.66 -0.08 1.26 2.01 -1.26 -4.44 115.64 114.44 3duf s THR 22 Ca 0.58 1.00 -0.28 0.00 0.31 0.00 0.00 61.69 63.30 3duf s THR 22 Cb -0.10 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3duf s THR 22 CO 0.24 -0.03 0.90 0.12 -0.69 0.00 0.00 174.62 175.16 3duf s PHE 23 N 2.81 3.55 0.02 4.92 5.36 0.03 -4.91 117.98 129.76 3duf s PHE 23 Ca 0.66 1.49 -0.01 0.00 -0.96 0.00 0.00 56.93 58.10 3duf s PHE 23 Cb -0.32 -3.06 -0.02 0.00 -0.34 0.00 0.00 43.02 39.29 3duf s PHE 23 CO 0.27 -0.10 0.00 -1.14 -1.46 0.00 0.00 175.22 172.78 3duf s GLN 24 N 1.51 0.37 0.08 10.12 0.74 -1.26 -1.78 119.66 129.43 3duf s GLN 24 Ca 0.45 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.24 3duf s GLN 24 Cb -0.19 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.06 3duf s GLN 24 CO 0.20 -0.07 0.00 -0.89 -0.55 0.00 0.00 175.29 173.98 3duf n ILE 25 N 1.45 0.56 -3.93 -2.34 2.08 -1.26 -4.54 119.36 111.39 3duf n ILE 25 Ca -0.23 0.19 -0.35 0.00 0.56 0.00 0.00 62.75 62.91 3duf n ILE 25 Cb 0.56 -1.33 -0.10 0.00 -0.75 0.00 0.00 39.64 38.01 3duf n ILE 25 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3duf s LEU 26 N -6.49 3.75 0.00 1.39 1.43 -1.26 -1.20 118.68 116.30 3duf s LEU 26 Ca 0.00 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3duf s LEU 26 Cb 0.00 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3duf s LEU 26 CO 0.00 0.11 0.26 -0.46 0.23 0.00 0.00 176.35 176.50 3duf n ASN 27 N 3.93 0.20 -0.33 2.29 0.23 -0.95 -4.81 115.26 115.83 3duf n ASN 27 Ca -0.16 -1.20 0.04 0.00 -0.53 0.00 0.00 54.58 52.73 3duf n ASN 27 Cb 0.52 -0.18 0.19 0.00 -2.08 0.00 0.00 39.78 38.23 3duf n ASN 27 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3duf h GLU 28 N 0.00 0.91 -0.09 -3.83 4.81 -1.94 -1.93 114.58 112.51 3duf h GLU 28 Ca -0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3duf h GLU 28 Cb 0.28 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3duf h GLU 28 CO 0.08 0.60 0.00 0.39 -0.73 0.00 0.00 179.01 179.35 3duf n GLU 29 N -4.65 1.48 -2.22 1.92 4.71 -1.26 -4.47 120.64 116.14 3duf n GLU 29 Ca 0.15 -0.71 -0.00 0.00 -0.01 0.00 0.00 57.16 56.59 3duf n GLU 29 Cb 0.28 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 3duf n GLU 29 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3duf n GLY 30 N 1.03 0.60 3.72 0.62 0.00 -0.73 -4.83 105.19 105.61 3duf n GLY 30 Ca 0.16 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3duf n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3duf s GLU 31 N -4.44 2.91 -0.53 1.61 2.02 -1.26 -4.31 118.70 114.71 3duf s GLU 31 Ca 0.00 -0.55 -0.27 0.00 0.02 0.00 0.00 54.97 54.17 3duf s GLU 31 Cb -0.00 -2.76 0.03 0.00 0.10 0.00 0.00 34.13 31.50 3duf s GLU 31 CO 0.01 0.64 1.09 0.08 0.02 0.00 0.00 175.26 177.10 3duf s VAL 32 N -1.12 4.21 -2.43 2.63 1.01 -1.26 -2.23 120.40 121.20 3duf s VAL 32 Ca 0.21 0.87 0.23 0.00 0.00 0.00 0.00 61.98 63.29 3duf s VAL 32 Cb -0.12 -4.61 0.45 0.00 0.00 0.00 0.00 36.38 32.10 3duf s VAL 32 CO 0.11 -1.13 1.42 1.33 0.00 0.00 0.00 175.10 176.84 3duf n VAL 33 N 6.61 0.54 -3.35 2.92 0.24 -0.34 -4.71 118.33 120.25 3duf n VAL 33 Ca 0.08 -0.76 -0.16 0.00 -2.04 0.00 0.00 64.34 61.46 3duf n VAL 33 Cb 0.49 0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 3duf n VAL 33 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3duf s ASN 34 N -1.44 0.99 0.20 -1.34 3.84 -1.24 -4.99 114.94 110.96 3duf s ASN 34 Ca 0.40 -1.54 0.04 0.00 0.21 0.00 0.00 52.86 51.97 3duf s ASN 34 Cb 0.23 0.65 0.12 0.00 -0.55 0.00 0.00 41.25 41.70 3duf s ASN 34 CO 0.32 -0.25 1.47 -0.08 -2.79 0.00 0.00 177.10 175.76 3duf h GLU 35 N 7.05 0.21 -0.72 0.43 4.57 -1.92 -3.32 114.58 120.87 3duf h GLU 35 Ca 0.05 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 3duf h GLU 35 Cb 1.06 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 3duf h GLU 35 CO 0.19 0.86 0.46 0.93 -1.18 0.00 0.00 179.01 180.27 3duf h GLU 36 N 0.14 0.88 -0.08 1.92 3.07 -2.01 -2.77 114.58 115.72 3duf h GLU 36 Ca -0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3duf h GLU 36 Cb 1.31 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3duf h GLU 36 CO 0.11 0.58 0.00 0.00 -1.40 0.00 0.00 179.01 178.30 3duf n ALA 37 N -2.32 2.57 -1.65 3.43 0.00 -1.25 -4.93 120.51 116.36 3duf n ALA 37 Ca 0.08 -0.39 -0.49 0.00 0.00 0.00 0.00 53.44 52.63 3duf n ALA 37 Cb 0.08 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 3duf n ALA 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3duf n MET 38 N -0.06 1.77 -1.87 0.00 0.00 -1.05 -4.94 117.12 110.97 3duf n MET 38 Ca 0.17 0.64 -0.32 0.00 0.00 0.00 0.00 57.70 58.20 3duf n MET 38 Cb 0.26 -2.38 0.02 0.00 0.00 0.00 0.00 33.22 31.13 3duf n MET 38 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3duf s PRO 39 N 1.43 3.27 -1.07 2.12 0.02 -1.26 -4.98 135.00 134.53 3duf s PRO 39 Ca 0.84 1.01 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 3duf s PRO 39 Cb -0.80 -2.03 0.16 0.00 0.02 0.00 0.00 34.50 31.85 3duf s PRO 39 CO 0.45 -0.83 1.27 -2.00 -0.33 0.00 0.00 177.00 175.56 3duf s GLU 40 N -4.62 3.86 -0.05 5.54 2.56 -1.26 -4.98 118.70 119.75 3duf s GLU 40 Ca 0.60 -2.23 0.06 0.00 0.00 0.00 0.00 54.97 53.39 3duf s GLU 40 Cb -0.14 -4.97 -0.01 0.00 2.00 0.00 0.00 34.13 31.01 3duf s GLU 40 CO 0.46 -1.75 -0.22 -0.51 -0.56 0.00 0.00 175.26 172.68 3duf s LEU 41 N 1.98 2.02 0.67 2.70 1.43 -1.26 -5.13 118.68 121.09 3duf s LEU 41 Ca 0.37 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 3duf s LEU 41 Cb -0.04 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 3duf s LEU 41 CO -0.05 0.22 1.05 -0.94 0.23 0.00 0.00 176.35 176.86 3duf s SER 42 N -0.10 5.56 0.52 2.29 1.04 -1.26 -4.84 113.70 116.90 3duf s SER 42 Ca -0.04 1.60 0.22 0.00 0.48 0.00 0.00 55.95 58.22 3duf s SER 42 Cb -0.13 -2.49 1.33 0.00 0.10 0.00 0.00 66.02 64.82 3duf s SER 42 CO 0.03 -1.32 2.02 0.44 0.98 0.00 0.00 173.24 175.39 3duf h ASP 43 N -0.55 0.05 1.13 7.02 3.45 -2.00 -0.03 116.42 125.49 3duf h ASP 43 Ca -0.44 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 56.88 3duf h ASP 43 Cb 1.21 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.95 3duf h ASP 43 CO 0.58 0.03 -0.66 -0.08 -1.57 0.00 0.00 179.24 177.53 3duf h GLU 44 N 0.05 0.00 0.02 3.56 4.57 -2.00 -2.74 114.58 118.05 3duf h GLU 44 Ca 0.21 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.18 3duf h GLU 44 Cb 0.78 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 3duf h GLU 44 CO -0.01 0.66 -0.96 1.96 -1.18 0.00 0.00 179.01 179.48 3duf h GLN 45 N 0.00 0.13 -0.45 1.92 4.20 -1.41 -2.76 115.11 116.74 3duf h GLN 45 Ca -0.01 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 3duf h GLN 45 Cb 1.41 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.23 3duf h GLN 45 CO 0.09 0.98 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.99 3duf h LEU 46 N 0.06 0.87 -0.79 1.46 3.38 -1.17 -1.74 115.31 117.38 3duf h LEU 46 Ca -0.04 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 3duf h LEU 46 Cb 1.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3duf h LEU 46 CO 0.14 1.03 -0.47 0.11 0.09 0.00 0.00 178.44 179.33 3duf h LYS 47 N 0.76 0.00 0.00 1.13 1.57 -1.49 -2.58 116.57 115.96 3duf h LYS 47 Ca 0.11 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3duf h LYS 47 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3duf h LYS 47 CO 0.05 0.47 -0.70 1.49 -0.57 0.00 0.00 179.45 180.20 3duf h GLU 48 N 0.00 0.00 -0.28 3.15 4.57 -1.23 -1.17 114.58 119.62 3duf h GLU 48 Ca -0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 3duf h GLU 48 Cb 1.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3duf h GLU 48 CO 0.06 0.70 -0.47 1.25 -1.18 0.00 0.00 179.01 179.37 3duf h LEU 49 N 0.00 0.90 -0.13 1.64 5.85 -1.15 -2.57 115.31 119.85 3duf h LEU 49 Ca -0.01 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3duf h LEU 49 Cb 1.46 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3duf h LEU 49 CO 0.09 1.25 -0.04 -0.03 -0.34 0.00 0.00 178.44 179.37 3duf h MET 50 N 0.57 0.25 -0.99 1.25 4.05 -1.41 -2.47 114.93 116.18 3duf h MET 50 Ca 0.02 -0.10 0.17 0.00 -0.28 0.00 0.00 59.70 59.51 3duf h MET 50 Cb 1.07 -0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 31.76 3duf h MET 50 CO 0.11 0.56 0.60 0.00 0.23 0.00 0.00 176.91 178.40 3duf h ARG 51 N -0.07 0.79 -0.03 0.39 3.08 -1.21 -0.59 114.38 116.74 3duf h ARG 51 Ca 0.03 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3duf h ARG 51 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3duf h ARG 51 CO 0.01 0.52 -0.67 0.00 -1.07 0.00 0.00 179.97 178.77 3duf h ARG 52 N 0.82 0.11 -0.05 0.04 3.08 -1.37 -2.24 114.38 114.77 3duf h ARG 52 Ca 0.54 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 60.26 3duf h ARG 52 Cb 0.76 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.84 3duf h ARG 52 CO -0.35 0.74 -0.93 0.52 -1.07 0.00 0.00 179.97 178.88 3duf h MET 53 N 0.08 0.67 -0.56 0.04 2.86 -0.69 -1.41 114.93 115.92 3duf h MET 53 Ca -0.01 -0.65 -0.08 0.00 -2.06 0.00 0.00 59.70 56.90 3duf h MET 53 Cb 1.19 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.99 3duf h MET 53 CO 0.09 1.25 0.03 0.28 1.06 0.00 0.00 176.91 179.62 3duf h VAL 54 N 0.41 1.25 -0.42 -2.22 2.07 -1.22 -2.05 116.25 114.07 3duf h VAL 54 Ca -0.09 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 3duf h VAL 54 Cb 1.57 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3duf h VAL 54 CO 0.18 0.38 -0.18 0.22 0.02 0.00 0.00 177.57 178.18 3duf h TYR 55 N 0.87 0.92 -0.01 1.57 5.03 -1.35 -2.15 116.97 121.84 3duf h TYR 55 Ca 0.17 -0.20 -0.14 0.00 2.58 0.00 0.00 58.73 61.13 3duf h TYR 55 Cb 0.47 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 3duf h TYR 55 CO 0.03 0.93 -0.67 1.15 -1.32 0.00 0.00 178.16 178.29 3duf h THR 56 N 0.72 1.46 -0.40 1.81 2.02 -1.05 -1.67 112.91 115.79 3duf h THR 56 Ca 0.11 -2.23 -0.13 0.00 0.77 0.00 0.00 66.41 64.92 3duf h THR 56 Cb 0.70 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 3duf h THR 56 CO 0.05 0.64 -0.26 -0.09 0.37 0.00 0.00 175.52 176.24 3duf h ARG 57 N 0.05 0.89 -0.34 6.66 9.65 -1.17 -1.74 114.38 128.37 3duf h ARG 57 Ca -0.01 -0.42 -0.09 0.00 -1.10 0.00 0.00 59.98 58.37 3duf h ARG 57 Cb 1.18 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 3duf h ARG 57 CO 0.09 1.06 -0.16 0.82 2.80 0.00 0.00 179.97 184.59 3duf h ILE 58 N 0.70 1.25 -0.44 1.20 1.08 -1.24 -2.01 117.51 118.05 3duf h ILE 58 Ca 0.08 -1.16 -0.11 0.00 -0.39 0.00 0.00 64.86 63.29 3duf h ILE 58 Cb 0.83 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 3duf h ILE 58 CO 0.07 0.38 -0.16 0.25 -0.69 0.00 0.00 178.15 178.01 3duf h LEU 59 N 0.55 0.84 -0.12 1.44 5.85 -1.15 -0.78 115.31 121.95 3duf h LEU 59 Ca 0.09 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3duf h LEU 59 Cb 0.59 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3duf h LEU 59 CO 0.04 1.00 0.05 -0.78 -0.34 0.00 0.00 178.44 178.41 3duf h ASP 60 N 0.75 0.16 -0.53 1.25 3.58 -1.00 0.19 116.42 120.81 3duf h ASP 60 Ca 0.11 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 3duf h ASP 60 Cb 0.67 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 3duf h ASP 60 CO 0.05 0.27 0.08 1.56 -2.88 0.00 0.00 179.24 178.32 3duf h GLN 61 N 0.04 0.94 -0.19 0.28 4.20 -1.21 -2.22 115.11 116.94 3duf h GLN 61 Ca 0.04 -0.24 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 3duf h GLN 61 Cb 0.16 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3duf h GLN 61 CO -0.00 0.88 -0.54 0.00 -0.67 0.00 0.00 178.83 178.50 3duf h ARG 62 N 0.88 0.56 -0.07 1.46 2.47 -1.08 -2.71 114.38 115.90 3duf h ARG 62 Ca 0.18 -0.35 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 3duf h ARG 62 Cb 0.41 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3duf h ARG 62 CO 0.01 0.96 0.03 0.77 0.56 0.00 0.00 179.97 182.30 3duf h SER 63 N 0.43 0.10 -0.64 7.04 0.02 -0.73 -0.37 113.55 119.40 3duf h SER 63 Ca 0.01 -0.17 0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3duf h SER 63 Cb 1.08 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 3duf h SER 63 CO 0.10 0.24 0.27 0.40 -1.14 0.00 0.00 176.83 176.70 3duf h ILE 64 N -0.05 0.78 -0.48 3.27 2.04 -1.42 0.84 117.51 122.50 3duf h ILE 64 Ca 0.02 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3duf h ILE 64 Cb 0.17 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3duf h ILE 64 CO -0.00 0.08 0.10 -1.28 0.00 0.00 0.00 178.15 177.05 3duf h SER 65 N 0.46 0.74 1.03 1.72 0.87 -1.21 -2.19 113.55 114.97 3duf h SER 65 Ca 0.33 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3duf h SER 65 Cb 0.39 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3duf h SER 65 CO -0.30 0.79 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.53 3duf h LEU 66 N 0.65 0.00 -0.11 2.23 3.38 -0.50 -3.04 115.31 117.93 3duf h LEU 66 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 3duf h LEU 66 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3duf h LEU 66 CO 0.00 0.19 -0.95 -1.13 0.09 0.00 0.00 178.44 176.64 3duf h ASN 67 N 0.00 0.77 0.00 -0.43 -0.73 -0.49 -0.57 115.58 114.13 3duf h ASN 67 Ca -0.00 -0.59 0.00 0.00 1.87 0.00 0.00 56.30 57.57 3duf h ASN 67 Cb 0.76 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.11 3duf h ASN 67 CO 0.02 1.39 0.00 0.54 -0.37 0.00 0.00 177.43 179.01 3duf n ARG 68 N -3.83 0.90 0.00 6.67 1.74 -0.86 -2.10 116.66 119.18 3duf n ARG 68 Ca -0.09 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.06 3duf n ARG 68 Cb 0.84 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.82 3duf n ARG 68 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3duf n GLN 69 N -0.97 1.61 0.00 5.56 6.02 -1.13 -4.97 117.38 123.49 3duf n GLN 69 Ca 0.20 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 3duf n GLN 69 Cb 0.09 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3duf n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3duf n GLY 70 N 0.99 2.39 0.33 1.08 0.00 -0.89 -4.90 105.19 104.19 3duf n GLY 70 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3duf n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3duf h ARG 71 N 2.34 0.25 -5.88 1.61 2.47 -1.35 -3.43 114.38 110.40 3duf h ARG 71 Ca 0.00 -0.02 -0.55 0.00 -1.26 0.00 0.00 59.98 58.16 3duf h ARG 71 Cb 0.00 -0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 28.12 3duf h ARG 71 CO 0.00 0.17 -0.73 -0.51 0.56 0.00 0.00 179.97 179.46 3duf s LEU 72 N -9.18 2.59 0.00 3.04 1.43 -0.99 -4.94 118.68 110.62 3duf s LEU 72 Ca -0.07 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 3duf s LEU 72 Cb 0.19 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.52 3duf s LEU 72 CO 0.73 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.80 3duf n GLY 73 N -0.57 0.54 3.73 -3.19 0.00 -1.24 -4.63 105.19 99.83 3duf n GLY 73 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3duf n GLY 73 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3duf n PHE 74 N 0.00 2.82 -3.67 1.61 7.35 -0.84 -4.93 117.46 119.79 3duf n PHE 74 Ca 0.00 0.15 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 3duf n PHE 74 Cb 0.00 -2.64 -0.09 0.00 0.35 0.00 0.00 39.48 37.10 3duf n PHE 74 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3duf s TYR 75 N 0.56 -0.79 -0.38 -5.13 5.04 -1.26 -4.59 117.35 110.80 3duf s TYR 75 Ca 0.69 1.58 -0.07 0.00 -2.44 0.00 0.00 57.07 56.83 3duf s TYR 75 Cb -0.50 0.39 0.07 0.00 0.35 0.00 0.00 41.96 42.26 3duf s TYR 75 CO 0.41 -0.43 0.18 0.00 -1.34 0.00 0.00 175.55 174.37 3duf s ALA 76 N 1.82 3.17 0.60 3.97 0.00 -1.26 -1.89 121.76 128.15 3duf s ALA 76 Ca -0.08 -2.03 -0.18 0.00 0.00 0.00 0.00 51.96 49.68 3duf s ALA 76 Cb -0.09 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 3duf s ALA 76 CO -0.15 -1.53 0.75 -2.30 0.00 0.00 0.00 175.76 172.53 3duf n PRO 77 N 4.83 0.68 0.00 0.00 -0.02 -1.26 -4.86 135.00 134.37 3duf n PRO 77 Ca -0.10 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3duf n PRO 77 Cb 0.43 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3duf n PRO 77 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3duf n THR 78 N -1.77 0.00 -1.63 3.45 -2.24 -1.26 -4.98 114.28 105.85 3duf n THR 78 Ca 0.13 -0.23 -0.51 0.00 -2.27 0.00 0.00 64.05 61.17 3duf n THR 78 Cb 0.48 1.40 -0.06 0.00 -2.10 0.00 0.00 70.33 70.05 3duf n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3duf n ALA 79 N -0.12 -0.15 0.00 6.98 0.00 -1.26 -0.94 120.51 125.01 3duf n ALA 79 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3duf n ALA 79 Cb 0.10 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.36 3duf n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duf n GLY 80 N 3.08 2.10 0.75 0.00 0.00 -1.26 -1.96 105.19 107.90 3duf n GLY 80 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 3duf n GLY 80 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3duf n GLN 81 N -1.52 2.30 -0.25 1.61 6.02 -0.12 -4.00 117.38 121.42 3duf n GLN 81 Ca 0.00 -2.87 0.02 0.00 -0.01 0.00 0.00 57.00 54.14 3duf n GLN 81 Cb 0.00 -1.76 0.14 0.00 1.02 0.00 0.00 30.24 29.64 3duf n GLN 81 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3duf h GLU 82 N 1.21 0.60 0.03 -1.09 3.07 -1.90 -1.74 114.58 114.76 3duf h GLU 82 Ca 0.04 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3duf h GLU 82 Cb 1.38 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3duf h GLU 82 CO 0.20 0.40 -0.01 0.00 -1.40 0.00 0.00 179.01 178.20 3duf h ALA 83 N 1.43 -0.04 -0.62 3.43 0.00 -1.86 0.22 119.26 121.82 3duf h ALA 83 Ca 0.36 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3duf h ALA 83 Cb 0.37 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3duf h ALA 83 CO -0.27 -0.29 0.42 1.03 0.00 0.00 0.00 179.25 180.14 3duf h SER 84 N -0.50 0.34 0.02 0.00 0.87 -1.43 -1.93 113.55 110.93 3duf h SER 84 Ca -0.00 0.01 -0.37 0.00 -1.23 0.00 0.00 61.79 60.20 3duf h SER 84 Cb 0.46 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 3duf h SER 84 CO 0.01 0.20 -2.09 0.00 -0.53 0.00 0.00 176.83 174.41 3duf n GLN 85 N -4.46 0.63 0.05 2.24 6.02 -0.67 -4.19 117.38 117.00 3duf n GLN 85 Ca 0.11 0.32 -0.21 0.00 -0.01 0.00 0.00 57.00 57.21 3duf n GLN 85 Cb 0.43 -1.61 -0.15 0.00 1.02 0.00 0.00 30.24 29.93 3duf n GLN 85 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3duf h ILE 86 N -0.58 1.41 0.00 5.09 1.08 -0.58 -3.13 117.51 120.80 3duf h ILE 86 Ca -0.53 -2.53 -0.04 0.00 -0.39 0.00 0.00 64.86 61.37 3duf h ILE 86 Cb 1.68 3.11 -0.01 0.00 -3.07 0.00 0.00 36.82 38.53 3duf h ILE 86 CO -0.20 0.72 -0.19 0.00 -0.69 0.00 0.00 178.15 177.79 3duf h ALA 87 N 0.06 1.08 -0.10 1.87 0.00 -1.43 -1.68 119.26 119.06 3duf h ALA 87 Ca -0.18 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 3duf h ALA 87 Cb 1.70 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.48 3duf h ALA 87 CO 0.14 0.24 -0.79 0.66 0.00 0.00 0.00 179.25 179.51 3duf h SER 88 N 0.00 0.86 0.34 0.00 4.64 -1.67 -3.16 113.55 114.57 3duf h SER 88 Ca -0.00 -0.67 -0.07 0.00 -0.47 0.00 0.00 61.79 60.58 3duf h SER 88 Cb 0.64 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3duf h SER 88 CO 0.03 1.40 -0.32 -0.74 -0.87 0.00 0.00 176.83 176.32 3duf h HIS 89 N 0.39 0.00 0.00 4.77 6.17 -1.42 -2.54 115.15 122.52 3duf h HIS 89 Ca -0.07 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 60.99 3duf h HIS 89 Cb 1.43 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.36 3duf h HIS 89 CO 0.10 0.32 -0.10 0.35 0.71 0.00 0.00 177.93 179.31 3duf h PHE 90 N 0.00 0.00 -0.01 5.26 3.57 -1.28 -2.17 116.94 122.32 3duf h PHE 90 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3duf h PHE 90 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3duf h PHE 90 CO 0.00 0.10 0.00 0.00 -2.23 0.00 0.00 178.31 176.18 3duf n ALA 91 N -2.24 2.66 -2.10 2.41 0.00 -0.96 -4.87 120.51 115.41 3duf n ALA 91 Ca -0.02 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 3duf n ALA 91 Cb 0.23 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.26 3duf n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3duf s LEU 92 N -1.91 3.34 0.27 0.00 1.43 -0.82 -4.78 118.68 116.20 3duf s LEU 92 Ca 0.43 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3duf s LEU 92 Cb 0.20 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3duf s LEU 92 CO 0.34 -0.95 -0.10 -1.61 0.23 0.00 0.00 176.35 174.25 3duf s GLU 93 N -4.39 1.54 0.45 1.70 0.41 -1.26 -5.05 118.70 112.09 3duf s GLU 93 Ca 0.54 -1.75 0.22 0.00 -0.41 0.00 0.00 54.97 53.56 3duf s GLU 93 Cb -0.06 -1.28 1.20 0.00 -1.78 0.00 0.00 34.13 32.21 3duf s GLU 93 CO 0.33 0.12 1.84 -0.22 -0.49 0.00 0.00 175.26 176.84 3duf h LYS 94 N 2.32 0.29 0.00 1.61 3.64 -1.99 -1.20 116.57 121.24 3duf h LYS 94 Ca -0.40 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3duf h LYS 94 Cb 1.24 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3duf h LYS 94 CO 0.65 0.19 0.00 1.05 -2.27 0.00 0.00 179.45 179.07 3duf h GLU 95 N 0.30 0.00 -6.96 1.90 4.11 -1.96 -3.43 114.58 108.53 3duf h GLU 95 Ca 0.49 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.41 3duf h GLU 95 Cb 1.41 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.72 3duf h GLU 95 CO -0.16 0.00 0.51 -0.51 0.07 0.00 0.00 179.01 178.92 3duf s ASP 96 N -4.85 6.38 -0.24 3.06 1.01 -0.46 -4.69 116.67 116.89 3duf s ASP 96 Ca 0.06 2.35 -0.11 0.00 0.71 0.00 0.00 52.55 55.56 3duf s ASP 96 Cb 0.10 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 3duf s ASP 96 CO 0.52 -0.77 0.18 0.12 0.21 0.00 0.00 175.17 175.42 3duf s PHE 97 N -1.45 3.32 -0.15 4.23 2.19 1.00 -4.70 117.98 122.41 3duf s PHE 97 Ca 0.59 0.25 -0.05 0.00 0.33 0.00 0.00 56.93 58.06 3duf s PHE 97 Cb -0.30 -2.30 -0.03 0.00 -1.31 0.00 0.00 43.02 39.07 3duf s PHE 97 CO 0.38 0.05 0.02 0.42 1.83 0.00 0.00 175.22 177.91 3duf s ILE 98 N 1.11 4.40 -0.52 3.12 1.09 -0.93 0.38 121.20 129.85 3duf s ILE 98 Ca 0.08 -0.18 0.04 0.00 -1.10 0.00 0.00 60.65 59.49 3duf s ILE 98 Cb -0.14 -2.94 0.13 0.00 -1.06 0.00 0.00 42.46 38.46 3duf s ILE 98 CO 0.05 0.50 0.27 -0.76 -0.10 0.00 0.00 174.94 174.91 3duf s LEU 99 N 0.12 4.02 0.58 2.97 1.02 -0.25 -2.94 118.68 124.19 3duf s LEU 99 Ca 0.02 -3.01 -0.09 0.00 0.02 0.00 0.00 54.13 51.07 3duf s LEU 99 Cb -0.13 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 3duf s LEU 99 CO 0.02 -0.23 0.96 -2.16 0.02 0.00 0.00 176.35 174.96 3duf s PRO 100 N -0.26 3.59 0.55 1.29 0.04 -1.26 -3.23 135.00 135.71 3duf s PRO 100 Ca 0.18 0.60 0.08 0.00 0.04 0.00 0.00 61.00 61.89 3duf s PRO 100 Cb -0.24 -2.16 0.06 0.00 0.04 0.00 0.00 34.50 32.20 3duf s PRO 100 CO -0.01 -0.46 0.60 0.20 0.04 0.00 0.00 177.00 177.36 3duf s GLY 101 N -4.14 2.02 0.61 0.56 0.00 -1.26 -1.83 107.32 103.28 3duf s GLY 101 Ca 0.53 -1.75 0.29 0.00 0.00 0.00 0.00 44.72 43.79 3duf s GLY 101 CO 0.51 -1.78 1.94 0.10 0.00 0.00 0.00 173.10 173.87 3duf h TYR 102 N 0.48 0.00 0.00 1.90 -0.00 -1.51 -1.16 116.97 116.68 3duf h TYR 102 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.39 3duf h TYR 102 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 3duf h TYR 102 CO 0.66 0.00 -0.84 -2.13 -0.00 0.00 0.00 178.16 175.85 3duf n ARG 103 N -3.49 0.02 -1.11 0.10 0.63 -1.26 -4.50 116.66 107.05 3duf n ARG 103 Ca 0.04 -0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.76 3duf n ARG 103 Cb 0.52 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.94 3duf n ARG 103 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3duf n ASP 104 N -1.53 6.56 0.12 6.15 8.00 -0.44 -4.47 116.55 130.94 3duf n ASP 104 Ca 0.04 -3.16 -0.03 0.00 0.71 0.00 0.00 54.79 52.35 3duf n ASP 104 Cb 0.34 -1.11 0.12 0.00 -0.02 0.00 0.00 41.12 40.45 3duf n ASP 104 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3duf h VAL 105 N 1.32 1.46 -0.85 2.53 2.07 -1.79 -3.24 116.25 117.75 3duf h VAL 105 Ca 0.35 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3duf h VAL 105 Cb 0.84 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 3duf h VAL 105 CO 0.86 0.65 0.54 -0.65 0.02 0.00 0.00 177.57 178.99 3duf h PRO 106 N 0.04 1.14 -0.30 1.57 0.11 -1.98 -2.70 132.00 129.88 3duf h PRO 106 Ca -0.01 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3duf h PRO 106 Cb 1.19 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3duf h PRO 106 CO 0.09 0.77 0.16 1.96 -0.21 0.00 0.00 178.00 180.78 3duf h GLN 107 N 1.16 0.33 0.00 1.05 7.50 -1.86 -2.48 115.11 120.81 3duf h GLN 107 Ca 0.31 -0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.40 3duf h GLN 107 Cb -0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.36 3duf h GLN 107 CO -0.06 0.22 -0.19 -0.84 -1.50 0.00 0.00 178.83 176.45 3duf h ILE 108 N 0.34 0.50 0.75 2.54 3.07 -1.65 -1.50 117.51 121.57 3duf h ILE 108 Ca 0.12 -0.99 -0.04 0.00 1.55 0.00 0.00 64.86 65.50 3duf h ILE 108 Cb 0.01 1.69 0.01 0.00 -0.27 0.00 0.00 36.82 38.26 3duf h ILE 108 CO -0.07 0.19 -0.36 0.40 -1.05 0.00 0.00 178.15 177.26 3duf h ILE 109 N 0.00 0.16 0.00 0.16 1.08 -1.12 -0.86 117.51 116.93 3duf h ILE 109 Ca -0.00 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3duf h ILE 109 Cb 0.67 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3duf h ILE 109 CO 0.03 0.01 0.00 -0.50 -0.69 0.00 0.00 178.15 177.00 3duf h TRP 110 N -1.15 0.00 -0.00 1.37 4.06 -1.35 -1.39 115.95 117.49 3duf h TRP 110 Ca -0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.85 3duf h TRP 110 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 3duf h TRP 110 CO -0.00 0.00 -0.17 1.58 -3.56 0.00 0.00 178.44 176.28 3duf n HIS 111 N -3.08 0.00 0.00 0.49 -0.00 -0.57 -4.89 115.22 107.16 3duf n HIS 111 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 3duf n HIS 111 Cb 0.14 -0.33 0.00 0.00 -0.12 0.00 0.00 29.99 29.68 3duf n HIS 111 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3duf n GLY 112 N 1.43 -0.06 3.68 1.57 0.00 -0.54 -4.81 105.19 106.45 3duf n GLY 112 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3duf n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3duf s LEU 113 N 0.00 4.20 0.21 0.99 2.96 -0.36 -4.93 118.68 121.75 3duf s LEU 113 Ca 0.00 1.32 -0.32 0.00 -0.22 0.00 0.00 54.13 54.90 3duf s LEU 113 Cb 0.00 -3.36 -0.13 0.00 0.50 0.00 0.00 46.19 43.19 3duf s LEU 113 CO 0.00 -0.42 1.53 -2.65 -1.32 0.00 0.00 176.35 173.49 3duf n PRO 114 N 5.15 2.22 -0.10 0.98 -0.02 -1.26 -4.47 135.00 137.49 3duf n PRO 114 Ca 0.06 0.79 0.16 0.00 -2.02 0.00 0.00 63.50 62.49 3duf n PRO 114 Cb 0.49 -2.53 0.55 0.00 -0.02 0.00 0.00 33.50 31.98 3duf n PRO 114 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3duf h LEU 115 N 5.24 0.29 -1.86 2.45 5.85 -1.94 -0.36 115.31 124.97 3duf h LEU 115 Ca -0.45 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 3duf h LEU 115 Cb 1.25 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3duf h LEU 115 CO 0.83 0.16 -0.12 0.10 -0.34 0.00 0.00 178.44 179.07 3duf h TYR 116 N 0.32 0.00 0.00 1.25 -0.00 -1.90 -1.90 116.97 114.74 3duf h TYR 116 Ca 0.32 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 58.89 3duf h TYR 116 Cb 0.80 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.51 3duf h TYR 116 CO -0.00 0.12 -0.77 1.96 -0.00 0.00 0.00 178.16 179.48 3duf h GLN 117 N 0.00 0.00 -0.61 0.10 4.20 -1.40 -2.67 115.11 114.73 3duf h GLN 117 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3duf h GLN 117 Cb 0.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3duf h GLN 117 CO 0.02 0.77 0.11 0.00 -0.67 0.00 0.00 178.83 179.06 3duf h ALA 118 N 1.23 0.81 0.00 3.87 0.00 -1.31 -1.29 119.26 122.58 3duf h ALA 118 Ca -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3duf h ALA 118 Cb 1.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3duf h ALA 118 CO 0.10 0.55 -0.28 0.74 0.00 0.00 0.00 179.25 180.37 3duf h PHE 119 N 0.91 0.00 -0.02 0.00 0.04 -1.46 -1.68 116.94 114.73 3duf h PHE 119 Ca 0.19 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.80 3duf h PHE 119 Cb 0.41 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3duf h PHE 119 CO 0.03 0.28 -0.71 -0.07 -0.60 0.00 0.00 178.31 177.24 3duf h LEU 120 N 0.00 0.16 -0.83 1.54 3.38 -1.05 -1.67 115.31 116.84 3duf h LEU 120 Ca -0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3duf h LEU 120 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3duf h LEU 120 CO 0.04 0.81 -0.12 0.15 0.09 0.00 0.00 178.44 179.41 3duf h PHE 121 N 0.09 0.83 -0.22 1.13 3.57 -0.38 0.15 116.94 122.10 3duf h PHE 121 Ca -0.02 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.26 3duf h PHE 121 Cb 1.26 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 3duf h PHE 121 CO 0.01 0.83 -0.16 1.03 -2.23 0.00 0.00 178.31 177.79 3duf h SER 122 N 0.68 0.53 0.00 0.41 0.87 -1.17 -3.20 113.55 111.68 3duf h SER 122 Ca 0.12 -0.45 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 3duf h SER 122 Cb 0.59 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3duf h SER 122 CO 0.04 0.87 -0.26 0.03 -0.53 0.00 0.00 176.83 176.97 3duf h ARG 123 N 0.21 0.41 -0.11 2.24 3.08 -1.14 -2.24 114.38 116.84 3duf h ARG 123 Ca 0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3duf h ARG 123 Cb 0.69 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3duf h ARG 123 CO 0.04 0.65 0.00 0.41 -1.07 0.00 0.00 179.97 180.00 3duf n GLY 124 N -0.41 0.80 2.78 0.04 0.00 -0.02 -4.81 105.19 103.58 3duf n GLY 124 Ca -0.01 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 3duf n GLY 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3duf s HIS 125 N -2.04 -0.00 0.55 1.61 5.04 -0.83 -5.04 115.29 114.57 3duf s HIS 125 Ca 0.00 0.23 0.31 0.00 -1.54 0.00 0.00 55.06 54.06 3duf s HIS 125 Cb 0.00 -0.27 1.47 0.00 0.04 0.00 0.00 32.58 33.82 3duf s HIS 125 CO 0.00 -0.13 1.89 0.27 -2.34 0.00 0.00 174.74 174.43 3duf h PHE 126 N 7.58 0.00 0.00 3.88 -5.15 -2.00 0.90 116.94 122.15 3duf h PHE 126 Ca -0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.40 3duf h PHE 126 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.29 3duf h PHE 126 CO 0.49 0.00 0.00 1.58 -2.00 0.00 0.00 178.31 178.38 3duf n HIS 127 N -4.18 0.62 0.15 6.09 -0.00 -1.26 -1.74 115.22 114.91 3duf n HIS 127 Ca 0.16 0.25 0.02 0.00 0.46 0.00 0.00 57.72 58.61 3duf n HIS 127 Cb 0.89 -0.90 0.19 0.00 -0.12 0.00 0.00 29.99 30.05 3duf n HIS 127 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3duf h GLY 128 N 2.22 0.00 0.67 1.57 0.00 -1.05 -3.20 103.07 103.29 3duf h GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3duf h GLY 128 CO 0.00 0.00 -0.66 0.70 0.00 0.00 0.00 176.54 176.58 3duf n ASN 129 N -3.53 0.67 -4.56 0.19 3.02 -0.71 -4.65 115.26 105.68 3duf n ASN 129 Ca -0.00 -0.50 -0.34 0.00 -0.03 0.00 0.00 54.58 53.71 3duf n ASN 129 Cb 0.62 0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 40.24 3duf n ASN 129 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3duf s GLN 130 N -3.00 3.12 0.27 3.52 -0.21 -1.15 -4.81 119.66 117.40 3duf s GLN 130 Ca 0.10 -0.80 -0.30 0.00 0.02 0.00 0.00 55.36 54.39 3duf s GLN 130 Cb 0.17 -5.23 -0.10 0.00 1.00 0.00 0.00 33.01 28.85 3duf s GLN 130 CO 0.75 -2.77 1.39 0.42 -2.12 0.00 0.00 175.29 172.96 3duf s ILE 131 N 7.34 2.71 0.42 1.08 1.09 -1.26 -4.97 121.20 127.61 3duf s ILE 131 Ca 0.57 0.63 -0.26 0.00 -1.10 0.00 0.00 60.65 60.49 3duf s ILE 131 Cb -0.03 -3.40 -0.09 0.00 -1.06 0.00 0.00 42.46 37.89 3duf s ILE 131 CO -0.05 0.11 1.37 -2.84 -0.10 0.00 0.00 174.94 173.44 3duf s PRO 132 N -0.80 3.88 0.46 2.79 0.02 -1.26 -4.93 135.00 135.16 3duf s PRO 132 Ca 0.56 2.31 -0.25 0.00 0.02 0.00 0.00 61.00 63.64 3duf s PRO 132 Cb -0.41 -2.75 -0.08 0.00 0.02 0.00 0.00 34.50 31.29 3duf s PRO 132 CO 0.46 -0.62 1.36 -1.21 -0.33 0.00 0.00 177.00 176.66 3duf s GLU 133 N -2.29 3.66 0.00 5.54 2.02 -1.26 -2.38 118.70 123.99 3duf s GLU 133 Ca 0.58 2.26 0.00 0.00 0.02 0.00 0.00 54.97 57.83 3duf s GLU 133 Cb -0.41 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3duf s GLU 133 CO 0.53 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.45 3duf n GLY 134 N 0.62 1.69 3.28 -1.39 0.00 -1.26 -5.00 105.19 103.13 3duf n GLY 134 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3duf n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3duf s VAL 135 N -2.34 4.34 -1.27 1.61 1.01 -1.00 -5.00 120.40 117.74 3duf s VAL 135 Ca 0.00 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 3duf s VAL 135 Cb 0.00 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.75 3duf s VAL 135 CO 0.00 -0.54 1.79 0.20 0.00 0.00 0.00 175.10 176.55 3duf s ASN 136 N 2.23 6.40 0.15 3.32 0.01 -1.26 -4.77 114.94 121.01 3duf s ASN 136 Ca 0.03 -2.26 -0.10 0.00 -0.71 0.00 0.00 52.86 49.82 3duf s ASN 136 Cb -0.23 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 38.84 3duf s ASN 136 CO 0.02 -1.64 0.28 0.68 -1.51 0.00 0.00 177.10 174.94 3duf s VAL 137 N 5.90 0.08 0.19 1.60 -7.23 -1.26 -2.19 120.40 117.49 3duf s VAL 137 Ca 0.57 -1.26 0.10 0.00 -1.81 0.00 0.00 61.98 59.58 3duf s VAL 137 Cb 0.03 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 3duf s VAL 137 CO 0.09 -0.37 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.62 3duf s LEU 138 N -2.93 2.83 0.81 1.32 1.43 -1.15 -4.97 118.68 116.02 3duf s LEU 138 Ca 0.13 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 3duf s LEU 138 Cb 0.03 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.83 3duf s LEU 138 CO -0.03 0.10 1.10 -2.84 0.23 0.00 0.00 176.35 174.91 3duf s PRO 139 N -2.86 1.90 0.27 1.29 0.02 -1.26 -4.59 135.00 129.76 3duf s PRO 139 Ca 0.24 1.21 -0.29 0.00 0.02 0.00 0.00 61.00 62.19 3duf s PRO 139 Cb -0.08 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.44 3duf s PRO 139 CO 0.14 -1.91 1.07 -2.30 -0.33 0.00 0.00 177.00 173.67 3duf n PRO 140 N -3.71 1.38 -3.52 5.54 -0.02 -1.26 -4.75 135.00 128.65 3duf n PRO 140 Ca 0.09 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 3duf n PRO 140 Cb 0.53 -1.90 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 3duf n PRO 140 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3duf s GLN 141 N -1.27 4.22 -0.09 -0.52 2.00 -0.76 -4.77 119.66 118.46 3duf s GLN 141 Ca 0.62 0.14 0.08 0.00 -2.00 0.00 0.00 55.36 54.19 3duf s GLN 141 Cb -0.72 -3.41 -0.24 0.00 0.80 0.00 0.00 33.01 29.44 3duf s GLN 141 CO 0.58 0.27 0.46 1.51 -0.50 0.00 0.00 175.29 177.61 3duf n ILE 142 N 3.45 1.62 -2.76 -2.34 0.00 -1.26 -1.33 119.36 116.74 3duf n ILE 142 Ca -0.12 -0.75 -0.43 0.00 0.00 0.00 0.00 62.75 61.45 3duf n ILE 142 Cb 0.52 -1.17 -0.03 0.00 0.00 0.00 0.00 39.64 38.95 3duf n ILE 142 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3duf s ILE 143 N -2.57 4.43 -0.04 9.51 1.01 -1.26 -4.92 121.20 127.36 3duf s ILE 143 Ca -0.12 0.97 -0.34 0.00 0.00 0.00 0.00 60.65 61.16 3duf s ILE 143 Cb 0.07 -4.46 -0.12 0.00 0.01 0.00 0.00 42.46 37.97 3duf s ILE 143 CO 0.80 -0.82 1.83 -0.38 0.00 0.00 0.00 174.94 176.38 3duf n ILE 144 N 6.44 0.49 0.00 2.92 2.08 -1.26 -2.61 119.36 127.42 3duf n ILE 144 Ca 0.08 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.30 3duf n ILE 144 Cb 0.48 -1.84 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 3duf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3duf n GLY 145 N 4.24 3.14 0.38 7.39 0.00 -1.26 -4.93 105.19 114.14 3duf n GLY 145 Ca 0.21 -1.00 0.17 0.00 0.00 0.00 0.00 46.02 45.40 3duf n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3duf h ALA 146 N 0.00 1.92 0.00 4.61 0.00 -1.86 -0.73 119.26 123.20 3duf h ALA 146 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3duf h ALA 146 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3duf h ALA 146 CO 0.00 -0.29 -0.02 -0.56 0.00 0.00 0.00 179.25 178.38 3duf h GLN 147 N 0.59 0.00 -0.08 0.00 -0.00 -1.93 -2.75 115.11 110.94 3duf h GLN 147 Ca 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 59.11 3duf h GLN 147 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 3duf h GLN 147 CO -0.33 0.02 -0.36 1.88 -0.00 0.00 0.00 178.83 180.04 3duf h TYR 148 N 0.00 0.52 0.00 0.06 -1.99 -1.44 -1.76 116.97 112.36 3duf h TYR 148 Ca -0.00 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.51 3duf h TYR 148 Cb 0.51 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.16 3duf h TYR 148 CO 0.00 0.97 0.00 -0.84 -0.00 0.00 0.00 178.16 178.29 3duf h ILE 149 N -0.08 0.00 0.00 -2.88 3.07 -1.58 -2.87 117.51 113.17 3duf h ILE 149 Ca -0.02 -0.71 -0.16 0.00 1.55 0.00 0.00 64.86 65.52 3duf h ILE 149 Cb 1.00 1.70 -0.02 0.00 -0.27 0.00 0.00 36.82 39.23 3duf h ILE 149 CO 0.07 0.00 -0.83 1.56 -1.05 0.00 0.00 178.15 177.90 3duf h GLN 150 N 0.00 0.00 -0.32 0.16 4.20 -1.49 -3.27 115.11 114.39 3duf h GLN 150 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 3duf h GLN 150 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3duf h GLN 150 CO 0.00 0.64 -0.36 0.00 -0.67 0.00 0.00 178.83 178.44 3duf h ALA 151 N 1.30 0.76 -0.10 3.87 0.00 -1.09 -1.91 119.26 122.09 3duf h ALA 151 Ca -0.04 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3duf h ALA 151 Cb 1.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3duf h ALA 151 CO 0.09 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.80 3duf h ALA 152 N 0.98 1.50 -0.04 0.00 0.00 -1.61 0.18 119.26 120.28 3duf h ALA 152 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3duf h ALA 152 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3duf h ALA 152 CO 0.08 0.36 -0.11 0.78 0.00 0.00 0.00 179.25 180.35 3duf h GLY 153 N 0.78 0.16 0.65 0.00 0.00 -1.54 -0.74 103.07 102.38 3duf h GLY 153 Ca 0.03 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.19 3duf h GLY 153 CO 0.03 0.19 -0.02 -2.08 0.00 0.00 0.00 176.54 174.65 3duf h VAL 154 N -0.40 0.83 -0.69 4.60 2.07 -1.04 0.21 116.25 121.83 3duf h VAL 154 Ca -0.00 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.57 3duf h VAL 154 Cb 0.73 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3duf h VAL 154 CO 0.02 0.01 0.38 0.00 0.02 0.00 0.00 177.57 178.00 3duf h ALA 155 N 1.19 0.94 0.00 1.67 0.00 -0.65 0.36 119.26 122.77 3duf h ALA 155 Ca 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3duf h ALA 155 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3duf h ALA 155 CO -0.18 0.04 -0.38 1.25 0.00 0.00 0.00 179.25 179.98 3duf h LEU 156 N 0.68 0.00 -0.13 0.00 5.85 -0.22 -2.39 115.31 119.10 3duf h LEU 156 Ca 0.32 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3duf h LEU 156 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3duf h LEU 156 CO -0.21 0.38 -0.04 1.23 -0.34 0.00 0.00 178.44 179.46 3duf h GLY 157 N 1.14 0.28 1.29 3.75 0.00 0.13 -2.35 103.07 107.31 3duf h GLY 157 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.10 3duf h GLY 157 CO 0.05 0.22 0.45 1.41 0.00 0.00 0.00 176.54 178.67 3duf h LEU 158 N -0.06 0.75 -0.59 3.11 3.38 -0.94 -2.57 115.31 118.38 3duf h LEU 158 Ca 0.03 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3duf h LEU 158 Cb 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3duf h LEU 158 CO 0.02 0.53 -0.08 0.50 0.09 0.00 0.00 178.44 179.50 3duf h LYS 159 N 0.88 1.03 0.00 1.13 3.64 -1.26 -2.46 116.57 119.53 3duf h LYS 159 Ca 0.26 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 3duf h LYS 159 Cb -0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3duf h LYS 159 CO -0.06 1.06 -0.32 0.52 -2.27 0.00 0.00 179.45 178.37 3duf h MET 160 N 0.93 0.00 -0.00 1.90 2.86 -1.02 -2.58 114.93 117.01 3duf h MET 160 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3duf h MET 160 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3duf h MET 160 CO 0.04 0.32 -0.27 0.54 1.06 0.00 0.00 176.91 178.60 3duf n ARG 161 N -3.98 0.57 -0.95 1.72 1.74 -1.13 -4.94 116.66 109.69 3duf n ARG 161 Ca -0.02 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 3duf n ARG 161 Cb 0.38 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3duf n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3duf n GLY 162 N 1.37 0.53 3.77 -0.13 0.00 -0.97 -5.02 105.19 104.73 3duf n GLY 162 Ca 0.11 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3duf n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3duf s LYS 163 N -0.06 3.60 -0.98 1.61 1.02 -0.95 -4.94 119.74 119.05 3duf s LYS 163 Ca 0.00 1.79 -0.01 0.00 0.02 0.00 0.00 55.97 57.76 3duf s LYS 163 Cb 0.00 -2.30 0.32 0.00 -0.52 0.00 0.00 37.83 35.33 3duf s LYS 163 CO 0.00 -0.68 1.91 1.63 -0.92 0.00 0.00 175.35 177.28 3duf n LYS 164 N -0.72 4.67 -4.45 1.68 4.76 -1.26 -4.70 118.16 118.14 3duf n LYS 164 Ca 0.09 -4.31 -0.22 0.00 -2.87 0.00 0.00 58.31 51.00 3duf n LYS 164 Cb 0.48 -2.42 -0.10 0.00 -1.84 0.00 0.00 35.03 31.15 3duf n LYS 164 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3duf s ALA 165 N -4.17 2.38 0.19 7.82 0.00 -1.26 -4.98 121.76 121.73 3duf s ALA 165 Ca 0.43 -2.00 0.06 0.00 0.00 0.00 0.00 51.96 50.44 3duf s ALA 165 Cb 0.26 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 3duf s ALA 165 CO -0.21 -0.32 -0.10 0.14 0.00 0.00 0.00 175.76 175.28 3duf s VAL 166 N -3.31 1.37 -0.15 0.00 -7.23 -1.26 -4.84 120.40 104.98 3duf s VAL 166 Ca 0.36 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 3duf s VAL 166 Cb 0.08 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 3duf s VAL 166 CO 0.15 -0.59 -0.06 0.00 -0.31 0.00 0.00 175.10 174.29 3duf s ALA 167 N -3.20 2.90 0.05 1.32 0.00 -0.93 -0.00 121.76 121.91 3duf s ALA 167 Ca 0.22 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.41 3duf s ALA 167 Cb 0.02 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 3duf s ALA 167 CO 0.05 0.18 -0.26 -1.50 0.00 0.00 0.00 175.76 174.23 3duf s ILE 168 N 0.43 2.07 -0.03 0.00 2.07 0.16 -0.88 121.20 125.01 3duf s ILE 168 Ca -0.05 -1.40 -0.08 0.00 -1.41 0.00 0.00 60.65 57.71 3duf s ILE 168 Cb -0.15 -1.78 0.01 0.00 0.13 0.00 0.00 42.46 40.67 3duf s ILE 168 CO 0.03 0.31 0.19 0.28 -1.91 0.00 0.00 174.94 173.84 3duf s THR 169 N -0.83 0.04 0.17 4.00 -1.32 -0.76 -1.10 115.64 115.84 3duf s THR 169 Ca 0.11 -0.37 0.10 0.00 -1.21 0.00 0.00 61.69 60.33 3duf s THR 169 Cb -0.10 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.45 3duf s THR 169 CO 0.02 -0.20 -0.23 -0.31 -2.21 0.00 0.00 174.62 171.70 3duf s TYR 170 N -0.73 2.12 0.32 9.09 1.51 -1.20 -0.91 117.35 127.55 3duf s TYR 170 Ca -0.08 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.41 3duf s TYR 170 Cb -0.05 -1.08 0.06 0.00 -0.11 0.00 0.00 41.96 40.79 3duf s TYR 170 CO 0.01 0.40 0.87 -0.08 -1.11 0.00 0.00 175.55 175.65 3duf s THR 171 N -1.61 0.00 0.24 -0.71 -1.32 -1.01 -4.14 115.64 107.09 3duf s THR 171 Ca 0.17 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.81 3duf s THR 171 Cb -0.08 -2.89 0.02 0.00 -1.51 0.00 0.00 72.50 68.04 3duf s THR 171 CO 0.08 0.00 0.19 0.61 -2.21 0.00 0.00 174.62 173.29 3duf n GLY 172 N -0.59 2.85 0.18 6.08 0.00 -1.26 -1.07 105.19 111.38 3duf n GLY 172 Ca -0.07 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.63 3duf n GLY 172 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3duf h ASP 173 N 0.27 0.50 -0.14 1.61 2.03 -1.86 -2.64 116.42 116.18 3duf h ASP 173 Ca -0.15 -0.21 -0.02 0.00 -0.73 0.00 0.00 57.03 55.92 3duf h ASP 173 Cb 0.56 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.91 3duf h ASP 173 CO 0.23 0.57 0.04 1.23 -1.03 0.00 0.00 179.24 180.29 3duf h GLY 174 N 0.40 0.31 2.00 7.15 0.00 -1.93 -1.79 103.07 109.21 3duf h GLY 174 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3duf h GLY 174 CO -0.00 0.14 0.00 -1.33 0.00 0.00 0.00 176.54 175.35 3duf h GLY 175 N 0.50 0.00 1.82 4.60 0.00 -1.86 -2.46 103.07 105.67 3duf h GLY 175 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3duf h GLY 175 CO -0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3duf n THR 176 N -2.70 0.65 0.55 4.70 -2.24 -0.67 -2.74 114.28 111.83 3duf n THR 176 Ca 0.00 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 3duf n THR 176 Cb 0.20 -0.86 0.10 0.00 -2.10 0.00 0.00 70.33 67.67 3duf n THR 176 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3duf n SER 177 N -1.41 0.66 -4.75 3.42 7.64 -0.93 -4.86 113.62 113.40 3duf n SER 177 Ca 0.06 -0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 3duf n SER 177 Cb 0.18 0.46 0.07 0.00 -1.01 0.00 0.00 64.21 63.91 3duf n SER 177 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3duf s GLN 178 N -3.19 2.41 0.22 1.43 -1.52 -1.11 -4.95 119.66 112.96 3duf s GLN 178 Ca 0.05 1.52 0.02 0.00 -1.95 0.00 0.00 55.36 55.00 3duf s GLN 178 Cb 0.14 -1.89 0.20 0.00 -0.22 0.00 0.00 33.01 31.23 3duf s GLN 178 CO 0.76 -1.58 1.53 0.78 -0.25 0.00 0.00 175.29 176.54 3duf h GLY 179 N -0.28 0.36 1.74 3.09 0.00 -1.92 -3.16 103.07 102.89 3duf h GLY 179 Ca -0.47 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.37 3duf h GLY 179 CO 0.51 0.40 -0.07 -0.55 0.00 0.00 0.00 176.54 176.84 3duf h ASP 180 N 0.25 0.31 -0.71 0.19 3.32 -1.91 -2.58 116.42 115.27 3duf h ASP 180 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3duf h ASP 180 Cb 1.12 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 3duf h ASP 180 CO 0.10 0.42 0.45 0.15 -1.72 0.00 0.00 179.24 178.64 3duf h PHE 181 N 0.31 0.92 0.02 4.55 3.57 -1.76 -1.93 116.94 122.62 3duf h PHE 181 Ca 0.07 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.33 3duf h PHE 181 Cb 0.32 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.77 3duf h PHE 181 CO 0.01 0.60 -1.01 -0.92 -2.23 0.00 0.00 178.31 174.75 3duf h TYR 182 N 0.97 0.75 -0.31 0.41 3.20 -1.61 -3.21 116.97 117.17 3duf h TYR 182 Ca 0.26 -0.42 -0.12 0.00 3.14 0.00 0.00 58.73 61.59 3duf h TYR 182 Cb -0.07 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3duf h TYR 182 CO -0.02 1.25 -0.31 0.93 -1.64 0.00 0.00 178.16 178.37 3duf h GLU 183 N 0.27 0.66 0.51 1.82 5.08 -1.40 -2.61 114.58 118.90 3duf h GLU 183 Ca -0.10 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 3duf h GLU 183 Cb 1.66 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.90 3duf h GLU 183 CO 0.18 0.89 -0.25 0.78 -1.00 0.00 0.00 179.01 179.62 3duf h GLY 184 N 1.00 -0.72 2.00 -3.84 0.00 -1.42 0.21 103.07 100.30 3duf h GLY 184 Ca 0.07 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3duf h GLY 184 CO 0.07 -0.26 0.00 0.16 0.00 0.00 0.00 176.54 176.51 3duf h ILE 185 N -0.72 0.00 0.15 2.60 3.07 -1.61 -1.15 117.51 119.84 3duf h ILE 185 Ca -0.07 -0.48 -0.30 0.00 1.55 0.00 0.00 64.86 65.56 3duf h ILE 185 Cb 0.54 1.41 0.01 0.00 -0.27 0.00 0.00 36.82 38.51 3duf h ILE 185 CO 0.12 0.00 -1.41 -1.13 -1.05 0.00 0.00 178.15 174.67 3duf h ASN 186 N 0.00 0.49 -0.21 2.16 -1.24 -1.28 -2.34 115.58 113.16 3duf h ASN 186 Ca 0.00 -0.58 -0.16 0.00 0.71 0.00 0.00 56.30 56.27 3duf h ASN 186 Cb 0.52 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.42 3duf h ASN 186 CO 0.00 1.47 -0.49 -0.26 -1.29 0.00 0.00 177.43 176.86 3duf h PHE 187 N 0.09 0.89 -1.00 0.67 -1.00 -0.71 -1.09 116.94 114.79 3duf h PHE 187 Ca -0.20 -0.34 0.04 0.00 2.81 0.00 0.00 57.97 60.28 3duf h PHE 187 Cb 2.03 -0.16 -0.06 0.00 3.61 0.00 0.00 35.95 41.37 3duf h PHE 187 CO 0.08 1.12 0.65 0.00 -1.61 0.00 0.00 178.31 178.55 3duf h ALA 188 N 0.60 1.35 -0.06 2.45 0.00 -1.29 -1.96 119.26 120.34 3duf h ALA 188 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3duf h ALA 188 Cb 1.10 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3duf h ALA 188 CO 0.11 0.56 -0.15 0.78 0.00 0.00 0.00 179.25 180.55 3duf h GLY 189 N 1.27 0.23 1.68 0.00 0.00 -1.34 -1.11 103.07 103.81 3duf h GLY 189 Ca 0.40 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.48 3duf h GLY 189 CO -0.12 0.25 0.12 0.00 0.00 0.00 0.00 176.54 176.79 3duf h ALA 190 N 0.46 1.91 -0.11 3.60 0.00 -0.95 -1.66 119.26 122.51 3duf h ALA 190 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3duf h ALA 190 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3duf h ALA 190 CO 0.03 -0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.28 3duf n PHE 191 N -4.13 0.12 -3.87 0.00 3.72 -0.76 -5.00 117.46 107.54 3duf n PHE 191 Ca 0.00 -0.08 -0.36 0.00 -0.05 0.00 0.00 57.45 56.96 3duf n PHE 191 Cb 0.24 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 3duf n PHE 191 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3duf n LYS 192 N 1.10 -1.10 -4.13 -1.08 4.81 -0.52 -4.96 118.16 112.29 3duf n LYS 192 Ca 0.13 0.31 -0.33 0.00 -0.87 0.00 0.00 58.31 57.54 3duf n LYS 192 Cb 0.49 -3.60 -0.07 0.00 0.02 0.00 0.00 35.03 31.86 3duf n LYS 192 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3duf s ALA 193 N -3.57 3.53 -0.98 3.14 0.00 -0.63 -4.47 121.76 118.78 3duf s ALA 193 Ca 0.42 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 3duf s ALA 193 Cb -0.18 -1.54 -0.15 0.00 0.00 0.00 0.00 23.12 21.25 3duf s ALA 193 CO 0.91 0.68 1.93 -0.35 0.00 0.00 0.00 175.76 178.93 3duf n PRO 194 N 1.23 1.28 -4.78 0.00 -0.04 -1.26 -2.95 135.00 128.48 3duf n PRO 194 Ca -0.13 -2.12 -0.24 0.00 -0.04 0.00 0.00 63.50 60.97 3duf n PRO 194 Cb 0.53 -3.47 -0.15 0.00 -0.04 0.00 0.00 33.50 30.37 3duf n PRO 194 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3duf s ALA 195 N 10.04 1.38 -0.19 0.55 0.00 -1.26 -2.18 121.76 130.10 3duf s ALA 195 Ca 0.67 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 3duf s ALA 195 Cb 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3duf s ALA 195 CO 0.15 0.34 -0.15 0.42 0.00 0.00 0.00 175.76 176.52 3duf s ILE 196 N -0.40 2.48 -0.31 0.00 1.01 -0.06 -2.79 121.20 121.13 3duf s ILE 196 Ca 0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3duf s ILE 196 Cb -0.06 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3duf s ILE 196 CO -0.01 0.51 0.16 -0.36 0.00 0.00 0.00 174.94 175.24 3duf s PHE 197 N 1.26 3.18 -0.18 3.97 0.08 -0.36 -1.83 117.98 124.09 3duf s PHE 197 Ca 0.03 -0.58 -0.05 0.00 0.12 0.00 0.00 56.93 56.45 3duf s PHE 197 Cb -0.14 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 3duf s PHE 197 CO -0.08 -0.46 0.00 0.08 -0.10 0.00 0.00 175.22 174.66 3duf s VAL 198 N 1.61 4.11 -0.19 -0.44 1.01 -0.08 0.24 120.40 126.66 3duf s VAL 198 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3duf s VAL 198 Cb -0.17 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3duf s VAL 198 CO 0.06 0.45 -0.06 -0.69 0.00 0.00 0.00 175.10 174.87 3duf s VAL 199 N 0.67 3.40 -0.63 2.92 1.01 0.27 -2.41 120.40 125.64 3duf s VAL 199 Ca -0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3duf s VAL 199 Cb -0.14 -2.51 0.16 0.00 0.00 0.00 0.00 36.38 33.89 3duf s VAL 199 CO 0.02 0.46 0.54 -1.10 0.00 0.00 0.00 175.10 175.02 3duf s GLN 200 N 1.05 3.01 -0.86 2.72 -0.21 -0.23 -0.10 119.66 125.04 3duf s GLN 200 Ca 0.01 -2.07 -0.23 0.00 0.02 0.00 0.00 55.36 53.08 3duf s GLN 200 Cb -0.15 -4.18 0.07 0.00 1.00 0.00 0.00 33.01 29.76 3duf s GLN 200 CO -0.00 -1.26 1.24 1.21 -2.12 0.00 0.00 175.29 174.35 3duf s ASN 201 N 2.53 6.38 -0.23 5.90 2.47 -0.09 -3.54 114.94 128.36 3duf s ASN 201 Ca 0.10 -1.25 0.10 0.00 0.42 0.00 0.00 52.86 52.23 3duf s ASN 201 Cb -0.21 -2.50 0.67 0.00 -1.45 0.00 0.00 41.25 37.76 3duf s ASN 201 CO -0.03 -1.47 1.60 -0.46 -3.72 0.00 0.00 177.10 173.01 3duf n ASN 202 N 8.24 4.75 0.00 -4.21 0.23 -1.26 -1.70 115.26 121.32 3duf n ASN 202 Ca 0.16 -2.89 0.00 0.00 -0.53 0.00 0.00 54.58 51.32 3duf n ASN 202 Cb 0.49 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 3duf n ASN 202 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3duf n ARG 203 N 0.26 -0.28 -3.72 -3.83 5.12 -1.26 -4.46 116.66 108.50 3duf n ARG 203 Ca 0.28 0.07 -0.13 0.00 -1.93 0.00 0.00 57.85 56.14 3duf n ARG 203 Cb 1.14 -3.74 -0.08 0.00 -1.16 0.00 0.00 32.46 28.62 3duf n ARG 203 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3duf s PHE 204 N -2.11 -0.23 -0.44 -1.55 0.08 -1.26 -2.75 117.98 109.72 3duf s PHE 204 Ca 0.00 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.37 3duf s PHE 204 Cb 0.00 0.15 0.13 0.00 -0.57 0.00 0.00 43.02 42.73 3duf s PHE 204 CO 0.00 -0.46 0.22 0.00 -0.10 0.00 0.00 175.22 174.88 3duf s ALA 205 N -1.73 2.39 0.00 5.36 0.00 -0.47 -4.72 121.76 122.60 3duf s ALA 205 Ca -0.10 -2.67 0.00 0.00 0.00 0.00 0.00 51.96 49.19 3duf s ALA 205 Cb -0.03 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.16 3duf s ALA 205 CO 0.02 -2.01 0.00 -0.89 0.00 0.00 0.00 175.76 172.89 3duf n ILE 206 N 3.58 0.00 0.98 0.00 5.41 -1.26 -1.53 119.36 126.55 3duf n ILE 206 Ca 0.07 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.94 3duf n ILE 206 Cb 0.35 0.00 0.32 0.00 -0.71 0.00 0.00 39.64 39.60 3duf n ILE 206 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3duf n SER 207 N 7.78 0.41 -4.69 4.38 3.41 -1.26 -4.90 113.62 118.75 3duf n SER 207 Ca 0.00 -0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.11 3duf n SER 207 Cb 0.00 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3duf n SER 207 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3duf s THR 208 N -3.01 4.87 0.32 6.66 2.01 -0.58 -4.91 115.64 121.00 3duf s THR 208 Ca 0.11 1.77 -0.28 0.00 0.31 0.00 0.00 61.69 63.61 3duf s THR 208 Cb 0.18 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 3duf s THR 208 CO 0.67 0.06 1.11 -2.16 -0.69 0.00 0.00 174.62 173.60 3duf s PRO 209 N 1.83 4.45 0.60 4.92 0.04 -1.26 -1.36 135.00 144.21 3duf s PRO 209 Ca 0.42 1.77 0.29 0.00 0.04 0.00 0.00 61.00 63.52 3duf s PRO 209 Cb -0.18 -2.98 1.54 0.00 0.04 0.00 0.00 34.50 32.93 3duf s PRO 209 CO 0.16 0.05 1.95 -0.24 0.04 0.00 0.00 177.00 178.96 3duf h VAL 210 N 2.80 0.35 0.00 -0.36 3.04 -1.89 -1.89 116.25 118.30 3duf h VAL 210 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3duf h VAL 210 Cb 1.22 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3duf h VAL 210 CO 0.65 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.88 3duf h GLU 211 N 0.00 0.00 -0.03 4.17 3.07 -1.88 -1.76 114.58 118.15 3duf h GLU 211 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3duf h GLU 211 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3duf h GLU 211 CO -0.00 0.00 -0.06 0.36 -1.40 0.00 0.00 179.01 177.90 3duf n LYS 212 N -2.88 2.08 0.07 2.33 2.85 -0.71 -4.34 118.16 117.55 3duf n LYS 212 Ca -0.02 -1.75 -0.21 0.00 -1.05 0.00 0.00 58.31 55.28 3duf n LYS 212 Cb 0.11 -1.44 -0.15 0.00 -0.65 0.00 0.00 35.03 32.90 3duf n LYS 212 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 3duf h GLN 213 N 4.24 0.34 -3.34 -1.58 1.08 -1.45 -3.49 115.11 110.92 3duf h GLN 213 Ca 0.00 -0.59 -0.01 0.00 -1.45 0.00 0.00 58.65 56.60 3duf h GLN 213 Cb 0.93 0.22 -0.09 0.00 -0.05 0.00 0.00 27.48 28.49 3duf h GLN 213 CO 0.00 1.28 0.03 -0.08 -0.95 0.00 0.00 178.83 179.11 3duf s THR 214 N -2.46 0.01 -2.29 -0.54 -1.32 -1.25 -4.98 115.64 102.82 3duf s THR 214 Ca -0.13 -1.02 0.20 0.00 -1.21 0.00 0.00 61.69 59.53 3duf s THR 214 Cb 0.01 -1.86 0.24 0.00 -1.51 0.00 0.00 72.50 69.38 3duf s THR 214 CO 0.85 -0.06 1.20 1.33 -2.21 0.00 0.00 174.62 175.74 3duf n VAL 215 N -0.38 0.23 -1.85 5.08 0.24 -1.26 -4.78 118.33 115.60 3duf n VAL 215 Ca -0.06 -0.61 -0.41 0.00 -2.04 0.00 0.00 64.34 61.21 3duf n VAL 215 Cb 0.61 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 34.18 3duf n VAL 215 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3duf s ALA 216 N -1.50 3.69 0.25 2.33 0.00 -1.26 -4.89 121.76 120.38 3duf s ALA 216 Ca 0.27 1.50 -0.03 0.00 0.00 0.00 0.00 51.96 53.70 3duf s ALA 216 Cb 0.18 -3.61 0.42 0.00 0.00 0.00 0.00 23.12 20.10 3duf s ALA 216 CO 0.25 -0.92 1.82 -0.22 0.00 0.00 0.00 175.76 176.69 3duf h LYS 217 N 4.62 0.81 -4.82 0.00 3.11 -1.93 -3.43 116.57 114.92 3duf h LYS 217 Ca -0.47 -0.05 -0.30 0.00 -2.81 0.00 0.00 60.65 57.02 3duf h LYS 217 Cb 1.22 -0.18 -0.15 0.00 -1.00 0.00 0.00 32.23 32.12 3duf h LYS 217 CO 0.77 0.53 -0.65 0.95 -2.81 0.00 0.00 179.45 178.24 3duf s THR 218 N -6.02 0.63 0.01 1.00 -4.23 -1.26 -5.05 115.64 100.72 3duf s THR 218 Ca -0.12 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.50 3duf s THR 218 Cb 0.20 -2.26 -0.23 0.00 1.34 0.00 0.00 72.50 71.55 3duf s THR 218 CO 0.79 -0.34 0.85 -0.07 -0.54 0.00 0.00 174.62 175.30 3duf h LEU 219 N 2.61 0.03 -1.78 4.79 3.38 -1.99 -3.35 115.31 118.99 3duf h LEU 219 Ca -0.37 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3duf h LEU 219 Cb 1.22 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3duf h LEU 219 CO 0.62 1.04 0.20 0.00 0.09 0.00 0.00 178.44 180.39 3duf h ALA 220 N 0.96 1.92 0.00 1.53 0.00 -1.93 -1.86 119.26 119.88 3duf h ALA 220 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3duf h ALA 220 Cb 1.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3duf h ALA 220 CO 0.10 0.04 0.00 -0.56 0.00 0.00 0.00 179.25 178.83 3duf h GLN 221 N 0.29 0.00 0.00 0.00 3.07 -1.94 -2.80 115.11 113.72 3duf h GLN 221 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 3duf h GLN 221 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 3duf h GLN 221 CO -0.03 0.00 0.00 0.87 0.09 0.00 0.00 178.83 179.76 3duf h LYS 222 N 0.00 0.00 0.00 0.06 1.57 -1.56 -1.39 116.57 115.25 3duf h LYS 222 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3duf h LYS 222 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3duf h LYS 222 CO 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 178.75 3duf h ALA 223 N 2.05 1.13 -0.02 3.86 0.00 -1.71 -2.68 119.26 121.89 3duf h ALA 223 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3duf h ALA 223 Cb 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3duf h ALA 223 CO 0.00 0.16 -0.01 0.28 0.00 0.00 0.00 179.25 179.68 3duf h VAL 224 N 0.00 1.02 -0.30 0.00 2.07 -1.39 -0.18 116.25 117.48 3duf h VAL 224 Ca -0.00 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3duf h VAL 224 Cb 0.47 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3duf h VAL 224 CO 0.02 0.03 0.04 0.00 0.02 0.00 0.00 177.57 177.67 3duf h ALA 225 N 1.96 1.51 0.00 1.67 0.00 -1.66 -1.60 119.26 121.15 3duf h ALA 225 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3duf h ALA 225 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3duf h ALA 225 CO 0.00 0.36 -0.78 0.00 0.00 0.00 0.00 179.25 178.83 3duf h ALA 226 N 1.62 0.52 0.00 0.00 0.00 -1.33 -3.48 119.26 116.59 3duf h ALA 226 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3duf h ALA 226 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3duf h ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3duf n GLY 227 N 1.30 0.63 3.88 0.00 0.00 -0.22 -4.86 105.19 105.92 3duf n GLY 227 Ca 0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3duf n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3duf s ILE 228 N -2.00 4.61 0.40 -0.61 -4.36 -0.98 -4.98 121.20 113.28 3duf s ILE 228 Ca 0.00 -1.26 -0.24 0.00 -0.26 0.00 0.00 60.65 58.88 3duf s ILE 228 Cb 0.00 -3.52 -0.09 0.00 1.25 0.00 0.00 42.46 40.10 3duf s ILE 228 CO 0.00 -0.33 1.06 -2.16 0.24 0.00 0.00 174.94 173.76 3duf s PRO 229 N -3.91 4.15 0.10 0.37 0.04 -1.26 -4.07 135.00 130.42 3duf s PRO 229 Ca 0.34 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.99 3duf s PRO 229 Cb -0.08 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 3duf s PRO 229 CO 0.26 -0.16 -0.16 0.20 0.04 0.00 0.00 177.00 177.18 3duf s GLY 230 N -1.52 1.07 -0.02 0.56 0.00 -1.26 -2.14 107.32 104.01 3duf s GLY 230 Ca 0.58 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3duf s GLY 230 CO 0.29 -1.23 0.01 -0.42 0.00 0.00 0.00 173.10 171.75 3duf s ILE 231 N -1.59 0.03 -0.17 0.90 1.01 -0.63 -4.98 121.20 115.77 3duf s ILE 231 Ca 0.05 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 3duf s ILE 231 Cb -0.08 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 3duf s ILE 231 CO 0.03 0.08 0.05 -1.58 0.00 0.00 0.00 174.94 173.52 3duf s GLN 232 N 0.73 3.81 0.19 2.79 0.74 -1.26 -0.96 119.66 125.70 3duf s GLN 232 Ca -0.06 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.00 3duf s GLN 232 Cb -0.09 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 3duf s GLN 232 CO -0.02 0.34 0.02 0.14 -0.55 0.00 0.00 175.29 175.22 3duf s VAL 233 N 0.16 0.67 -0.46 1.34 -7.23 -0.48 -0.79 120.40 113.61 3duf s VAL 233 Ca 0.04 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 3duf s VAL 233 Cb -0.12 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.62 3duf s VAL 233 CO 0.01 -0.40 1.39 -0.62 -0.31 0.00 0.00 175.10 175.17 3duf s ASP 234 N -3.20 6.30 0.18 4.85 -1.08 -0.73 -1.77 116.67 121.22 3duf s ASP 234 Ca 0.26 0.64 0.19 0.00 -0.52 0.00 0.00 52.55 53.11 3duf s ASP 234 Cb 0.06 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.81 3duf s ASP 234 CO 0.06 -1.50 1.57 0.61 0.52 0.00 0.00 175.17 176.43 3duf n GLY 235 N 5.11 -1.05 0.79 2.66 0.00 0.08 -1.23 105.19 111.54 3duf n GLY 235 Ca 0.15 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3duf n GLY 235 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3duf n MET 236 N -1.98 2.09 -3.49 1.61 2.81 -1.22 -3.00 117.12 113.93 3duf n MET 236 Ca 0.02 -1.58 -0.42 0.00 -1.81 0.00 0.00 57.70 53.90 3duf n MET 236 Cb 0.16 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.13 3duf n MET 236 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3duf s ASP 237 N -1.97 5.94 0.24 7.83 -1.08 -0.37 -4.14 116.67 123.13 3duf s ASP 237 Ca 0.32 -2.19 -0.05 0.00 -0.52 0.00 0.00 52.55 50.11 3duf s ASP 237 Cb 0.20 -2.07 0.35 0.00 -1.46 0.00 0.00 42.92 39.94 3duf s ASP 237 CO 0.31 -0.65 1.84 1.55 0.52 0.00 0.00 175.17 178.74 3duf h PRO 238 N 8.18 0.88 0.00 4.34 0.13 -1.85 -2.04 132.00 141.64 3duf h PRO 238 Ca -0.13 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 3duf h PRO 238 Cb 1.05 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 3duf h PRO 238 CO 0.85 0.58 -0.04 -0.07 -0.23 0.00 0.00 178.00 179.09 3duf h LEU 239 N 0.91 0.00 0.07 1.56 3.38 -1.95 -2.21 115.31 117.06 3duf h LEU 239 Ca 0.38 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.04 3duf h LEU 239 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3duf h LEU 239 CO -0.19 0.04 -1.68 0.00 0.09 0.00 0.00 178.44 176.70 3duf h ALA 240 N 1.96 0.52 -0.23 1.53 0.00 -1.73 -2.98 119.26 118.33 3duf h ALA 240 Ca -0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 54.91 53.53 3duf h ALA 240 Cb 0.41 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3duf h ALA 240 CO 0.01 1.37 -0.11 0.28 0.00 0.00 0.00 179.25 180.79 3duf h VAL 241 N 0.04 1.30 -0.27 0.00 2.07 -1.23 -1.75 116.25 116.41 3duf h VAL 241 Ca -0.29 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.07 3duf h VAL 241 Cb 2.00 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 3duf h VAL 241 CO 0.11 0.37 0.11 0.22 0.02 0.00 0.00 177.57 178.40 3duf h TYR 242 N 0.19 0.20 -0.55 1.57 5.03 -1.53 -1.33 116.97 120.56 3duf h TYR 242 Ca 0.05 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 3duf h TYR 242 Cb 0.61 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.81 3duf h TYR 242 CO 0.06 0.10 0.27 0.00 -1.32 0.00 0.00 178.16 177.28 3duf h ALA 243 N 1.15 0.71 -0.06 1.82 0.00 -1.48 0.57 119.26 121.97 3duf h ALA 243 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3duf h ALA 243 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3duf h ALA 243 CO -0.10 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.45 3duf h ALA 244 N 1.10 0.07 -0.00 0.00 0.00 -1.09 -0.32 119.26 119.03 3duf h ALA 244 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3duf h ALA 244 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3duf h ALA 244 CO -0.02 -0.43 -0.34 0.28 0.00 0.00 0.00 179.25 178.74 3duf h VAL 245 N 0.07 1.24 0.01 0.00 2.07 -1.13 -1.58 116.25 116.93 3duf h VAL 245 Ca 0.02 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 3duf h VAL 245 Cb 0.00 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3duf h VAL 245 CO -0.00 0.33 -0.00 0.50 0.02 0.00 0.00 177.57 178.42 3duf h LYS 246 N 0.01 -0.01 -0.49 1.57 1.63 -0.35 0.05 116.57 118.98 3duf h LYS 246 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3duf h LYS 246 Cb 0.60 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 3duf h LYS 246 CO 0.04 0.31 0.19 0.00 -3.45 0.00 0.00 179.45 176.55 3duf h ALA 247 N 0.66 1.41 -0.18 5.00 0.00 -0.90 -2.03 119.26 123.23 3duf h ALA 247 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3duf h ALA 247 Cb 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3duf h ALA 247 CO 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 3duf h ALA 248 N 1.51 0.24 -0.48 0.00 0.00 -1.14 -2.07 119.26 117.32 3duf h ALA 248 Ca 0.17 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3duf h ALA 248 Cb 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3duf h ALA 248 CO -0.02 0.04 0.25 -0.09 0.00 0.00 0.00 179.25 179.43 3duf h ARG 249 N 0.05 0.47 -0.08 0.00 2.43 -0.75 -1.40 114.38 115.10 3duf h ARG 249 Ca 0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3duf h ARG 249 Cb 0.53 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3duf h ARG 249 CO 0.02 0.31 0.04 1.49 -1.51 0.00 0.00 179.97 180.32 3duf h GLU 250 N 0.49 0.11 -0.68 0.20 4.81 -1.33 -0.92 114.58 117.26 3duf h GLU 250 Ca 0.21 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 3duf h GLU 250 Cb 0.11 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 3duf h GLU 250 CO -0.14 0.20 0.30 -0.09 -0.73 0.00 0.00 179.01 178.55 3duf h ARG 251 N -0.00 0.50 -0.26 1.92 2.43 -1.23 -2.11 114.38 115.63 3duf h ARG 251 Ca 0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3duf h ARG 251 Cb 0.13 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3duf h ARG 251 CO -0.00 0.33 -0.02 0.00 -1.51 0.00 0.00 179.97 178.76 3duf h ALA 252 N 1.44 0.35 0.00 2.80 0.00 -0.91 -1.80 119.26 121.14 3duf h ALA 252 Ca 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3duf h ALA 252 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3duf h ALA 252 CO -0.30 0.11 0.00 0.44 0.00 0.00 0.00 179.25 179.50 3duf n ILE 253 N -4.59 0.90 0.11 0.00 -5.35 -0.38 -0.98 119.36 109.06 3duf n ILE 253 Ca -0.03 0.23 0.07 0.00 -0.27 0.00 0.00 62.75 62.75 3duf n ILE 253 Cb 0.27 -1.06 0.25 0.00 -1.74 0.00 0.00 39.64 37.36 3duf n ILE 253 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3duf n ASN 254 N -1.85 3.30 -2.56 7.28 3.02 -0.82 -4.94 115.26 118.70 3duf n ASN 254 Ca 0.03 -2.20 -0.19 0.00 -0.03 0.00 0.00 54.58 52.20 3duf n ASN 254 Cb 0.20 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 38.97 3duf n ASN 254 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3duf n GLY 255 N 1.08 -0.33 1.11 7.41 0.00 -0.16 -4.93 105.19 109.38 3duf n GLY 255 Ca 0.18 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3duf n GLY 255 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3duf n GLU 256 N -3.49 2.45 0.00 1.61 1.02 -0.70 -5.04 120.64 116.49 3duf n GLU 256 Ca -0.10 -2.23 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 3duf n GLU 256 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3duf n GLU 256 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3duf n GLY 257 N 1.44 -2.04 3.95 0.62 0.00 -1.26 -4.95 105.19 102.95 3duf n GLY 257 Ca 0.18 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 3duf n GLY 257 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3duf s PRO 258 N -0.66 2.12 -0.02 1.61 0.04 -1.15 -4.17 135.00 132.77 3duf s PRO 258 Ca 0.00 -0.51 -0.10 0.00 0.04 0.00 0.00 61.00 60.42 3duf s PRO 258 Cb 0.00 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.30 3duf s PRO 258 CO 0.00 -1.21 0.22 0.99 0.04 0.00 0.00 177.00 177.04 3duf s THR 259 N -3.15 0.06 -0.16 1.26 2.01 -1.12 -4.45 115.64 110.10 3duf s THR 259 Ca 0.61 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 3duf s THR 259 Cb -0.09 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3duf s THR 259 CO 0.44 -0.27 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.79 3duf s LEU 260 N -1.10 2.95 -0.16 4.42 2.96 -0.91 -1.22 118.68 125.61 3duf s LEU 260 Ca -0.12 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3duf s LEU 260 Cb -0.06 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.95 3duf s LEU 260 CO 0.02 0.13 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.35 3duf s ILE 261 N 0.56 2.11 -0.31 6.68 1.01 0.14 -1.60 121.20 129.78 3duf s ILE 261 Ca -0.05 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 3duf s ILE 261 Cb -0.15 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.47 3duf s ILE 261 CO 0.03 0.54 0.10 -0.70 0.00 0.00 0.00 174.94 174.91 3duf s GLU 262 N 1.06 2.95 -0.09 2.79 2.12 -0.13 0.98 118.70 128.37 3duf s GLU 262 Ca -0.01 -0.96 -0.11 0.00 0.36 0.00 0.00 54.97 54.25 3duf s GLU 262 Cb -0.14 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3duf s GLU 262 CO -0.07 -0.52 0.27 0.95 -0.54 0.00 0.00 175.26 175.34 3duf s THR 263 N 1.48 5.29 -0.54 -1.70 -4.23 0.86 -1.38 115.64 115.43 3duf s THR 263 Ca 0.01 0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 60.87 3duf s THR 263 Cb -0.18 -3.56 0.12 0.00 1.34 0.00 0.00 72.50 70.21 3duf s THR 263 CO 0.03 0.55 0.51 -0.76 -0.54 0.00 0.00 174.62 174.41 3duf s LEU 264 N -0.67 5.99 0.00 4.79 1.43 -0.73 -0.92 118.68 128.58 3duf s LEU 264 Ca 0.18 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 3duf s LEU 264 Cb -0.14 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3duf s LEU 264 CO 0.07 -0.86 0.00 0.00 0.23 0.00 0.00 176.35 175.79 3duf s PHE 266 N 0.35 -0.55 -0.22 0.00 5.36 -1.26 -4.20 117.98 117.47 3duf s PHE 266 Ca 0.00 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 56.79 3duf s PHE 266 Cb 0.00 0.45 0.02 0.00 -0.34 0.00 0.00 43.02 43.15 3duf s PHE 266 CO 0.00 -0.57 -0.10 -0.98 -1.46 0.00 0.00 175.22 172.11 3duf s ARG 267 N -1.66 2.95 0.39 10.12 1.70 -1.26 -3.48 118.95 127.72 3duf s ARG 267 Ca -0.06 -0.89 0.28 0.00 -0.47 0.00 0.00 55.73 54.60 3duf s ARG 267 Cb -0.00 -2.86 1.09 0.00 -0.57 0.00 0.00 34.95 32.61 3duf s ARG 267 CO 0.03 -0.31 1.83 1.88 -1.08 0.00 0.00 175.30 177.65 3duf h TYR 268 N 7.99 0.00 -0.89 5.89 0.05 -1.75 -3.46 116.97 124.81 3duf h TYR 268 Ca -0.38 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.88 3duf h TYR 268 Cb 1.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 3duf h TYR 268 CO 0.55 0.00 -0.24 0.20 -1.05 0.00 0.00 178.16 177.62 3duf s GLY 269 N -3.86 2.07 0.79 3.88 0.00 -1.26 -5.10 107.32 103.83 3duf s GLY 269 Ca 0.04 -1.73 -0.14 0.00 0.00 0.00 0.00 44.72 42.89 3duf s GLY 269 CO 0.49 -1.77 1.05 -1.05 0.00 0.00 0.00 173.10 171.82 3duf n PRO 270 N -1.90 0.27 -0.04 2.90 -0.02 -1.26 -4.91 135.00 130.04 3duf n PRO 270 Ca 0.06 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 3duf n PRO 270 Cb 0.62 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3duf n PRO 270 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3duf h HIS 271 N -0.70 -0.61 -3.87 6.00 -0.00 -1.93 -3.39 115.15 110.65 3duf h HIS 271 Ca -0.46 0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 59.84 3duf h HIS 271 Cb 1.31 0.30 -0.12 0.00 -0.00 0.00 0.00 27.41 28.90 3duf h HIS 271 CO 0.43 -0.31 -0.30 0.95 -0.00 0.00 0.00 177.93 178.70 3duf s THR 272 N -6.09 0.05 -1.40 6.26 -4.23 -1.26 -4.28 115.64 104.69 3duf s THR 272 Ca -0.15 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 3duf s THR 272 Cb 0.12 -1.90 0.09 0.00 1.34 0.00 0.00 72.50 72.15 3duf s THR 272 CO 0.68 -0.25 0.84 0.23 -0.54 0.00 0.00 174.62 175.58 3duf n MET 273 N -0.24 1.35 0.02 3.99 0.00 -0.79 -4.11 117.12 117.33 3duf n MET 273 Ca -0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 57.70 57.19 3duf n MET 273 Cb 0.63 -1.36 -0.07 0.00 0.00 0.00 0.00 33.22 32.42 3duf n MET 273 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3duf h SER 274 N 0.50 -0.12 0.00 7.83 0.02 -1.95 -3.47 113.55 116.35 3duf h SER 274 Ca 0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3duf h SER 274 Cb 0.43 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3duf h SER 274 CO 0.03 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 3duf n GLY 275 N 0.97 0.09 3.75 -3.77 0.00 -1.26 -5.13 105.19 99.84 3duf n GLY 275 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3duf n GLY 275 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3duf s ASP 276 N 0.00 6.75 -0.28 1.61 2.15 -1.26 -5.00 116.67 120.63 3duf s ASP 276 Ca 0.00 2.63 0.00 0.00 0.43 0.00 0.00 52.55 55.61 3duf s ASP 276 Cb 0.00 -2.63 0.08 0.00 -0.30 0.00 0.00 42.92 40.07 3duf s ASP 276 CO 0.00 -0.60 0.04 -0.62 -0.17 0.00 0.00 175.17 173.82 3duf s ASP 277 N 0.01 4.00 0.57 -0.34 2.15 -1.26 -4.77 116.67 117.03 3duf s ASP 277 Ca 0.55 -1.52 0.29 0.00 0.43 0.00 0.00 52.55 52.29 3duf s ASP 277 Cb -0.40 -1.06 1.48 0.00 -0.30 0.00 0.00 42.92 42.64 3duf s ASP 277 CO 0.46 -0.35 1.91 -0.65 -0.17 0.00 0.00 175.17 176.38 3duf h PRO 278 N 7.98 0.00 0.00 4.34 0.11 -1.95 -2.52 132.00 139.95 3duf h PRO 278 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3duf h PRO 278 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3duf h PRO 278 CO 0.45 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.49 3duf n THR 279 N -3.87 1.16 1.02 -1.15 -2.24 -1.26 -1.90 114.28 106.03 3duf n THR 279 Ca 0.10 0.44 0.12 0.00 -2.27 0.00 0.00 64.05 62.44 3duf n THR 279 Cb 0.70 -1.37 0.34 0.00 -2.10 0.00 0.00 70.33 67.90 3duf n THR 279 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3duf n ARG 280 N -1.95 0.04 0.00 -0.78 1.74 -0.95 -4.53 116.66 110.23 3duf n ARG 280 Ca 0.01 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3duf n ARG 280 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3duf n ARG 280 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3duf n TYR 281 N -1.46 0.00 -3.85 -1.55 0.18 -0.87 -5.11 117.16 104.50 3duf n TYR 281 Ca 0.06 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.72 3duf n TYR 281 Cb 0.34 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.16 3duf n TYR 281 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 3duf s ARG 282 N 0.00 0.05 0.66 -3.48 1.70 -0.80 -5.00 118.95 112.09 3duf s ARG 282 Ca 0.00 0.07 -0.17 0.00 -0.47 0.00 0.00 55.73 55.16 3duf s ARG 282 Cb 0.00 0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 3duf s ARG 282 CO 0.00 -0.01 0.78 0.45 -1.08 0.00 0.00 175.30 175.44 3duf n SER 283 N 3.08 -0.10 0.06 -2.89 2.88 -1.26 -4.56 113.62 110.84 3duf n SER 283 Ca -0.12 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 3duf n SER 283 Cb 0.59 -1.31 -0.05 0.00 -0.75 0.00 0.00 64.21 62.69 3duf n SER 283 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3duf h LYS 284 N 0.04 0.00 0.00 -1.46 -0.00 -1.96 -3.17 116.57 110.02 3duf h LYS 284 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 3duf h LYS 284 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.59 3duf h LYS 284 CO 0.47 0.40 -0.16 -0.85 -0.00 0.00 0.00 179.45 179.31 3duf n GLU 285 N -3.02 0.23 0.06 0.07 -0.00 -1.26 -2.75 120.64 113.97 3duf n GLU 285 Ca -0.06 0.15 0.12 0.00 -0.00 0.00 0.00 57.16 57.38 3duf n GLU 285 Cb 0.82 -1.73 0.21 0.00 -0.00 0.00 0.00 31.44 30.74 3duf n GLU 285 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3duf n LEU 286 N -2.11 0.70 0.02 -1.84 -0.00 -1.20 -3.34 117.00 109.22 3duf n LEU 286 Ca 0.05 0.27 0.12 0.00 -0.00 0.00 0.00 56.01 56.45 3duf n LEU 286 Cb 0.42 -0.21 0.21 0.00 -0.00 0.00 0.00 43.42 43.84 3duf n LEU 286 CO 0.31 -0.06 0.39 -0.62 -0.00 0.00 0.00 177.39 177.41 3duf n GLU 287 N -2.10 0.10 0.00 1.47 -0.58 -1.11 -3.63 120.64 114.79 3duf n GLU 287 Ca 0.04 0.02 0.10 0.00 -0.42 0.00 0.00 57.16 56.90 3duf n GLU 287 Cb 0.43 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 3duf n GLU 287 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3duf n ASN 288 N -1.69 0.95 0.07 1.62 3.02 -1.21 -2.99 115.26 115.02 3duf n ASN 288 Ca 0.05 -0.87 -0.11 0.00 -0.03 0.00 0.00 54.58 53.62 3duf n ASN 288 Cb 0.37 0.82 -0.13 0.00 -0.61 0.00 0.00 39.78 40.23 3duf n ASN 288 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3duf h GLU 289 N 0.11 0.11 0.00 3.52 3.07 -1.62 -3.27 114.58 116.50 3duf h GLU 289 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3duf h GLU 289 Cb 0.51 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3duf h GLU 289 CO 0.00 1.06 -0.89 0.91 -1.40 0.00 0.00 179.01 178.69 3duf n TRP 290 N -3.40 0.02 -0.28 4.33 7.02 -1.26 -4.13 117.44 119.73 3duf n TRP 290 Ca -0.04 0.01 -0.06 0.00 -1.02 0.00 0.00 57.50 56.38 3duf n TRP 290 Cb 0.98 -0.12 0.06 0.00 -2.42 0.00 0.00 31.31 29.81 3duf n TRP 290 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3duf h ALA 291 N 2.93 1.01 0.00 6.99 0.00 -1.58 -2.35 119.26 126.26 3duf h ALA 291 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3duf h ALA 291 Cb 0.53 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3duf h ALA 291 CO 0.00 0.64 -0.07 0.87 0.00 0.00 0.00 179.25 180.69 3duf h LYS 292 N 1.13 0.00 -0.61 0.00 1.57 -1.72 -3.07 116.57 113.87 3duf h LYS 292 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3duf h LYS 292 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3duf h LYS 292 CO -0.02 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.57 3duf n LYS 293 N -3.17 2.40 -1.67 3.15 5.02 -0.89 -4.92 118.16 118.09 3duf n LYS 293 Ca 0.01 -1.39 -0.50 0.00 -2.02 0.00 0.00 58.31 54.41 3duf n LYS 293 Cb 0.40 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 3duf n LYS 293 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3duf n ASP 294 N 0.39 2.89 0.11 4.39 -0.08 -1.16 -4.82 116.55 118.28 3duf n ASP 294 Ca 0.13 1.04 0.05 0.00 -1.51 0.00 0.00 54.79 54.50 3duf n ASP 294 Cb 0.53 -1.32 0.48 0.00 2.34 0.00 0.00 41.12 43.15 3duf n ASP 294 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3duf h PRO 295 N 7.26 0.31 -0.65 -0.67 0.13 -1.89 -2.57 132.00 133.91 3duf h PRO 295 Ca -0.47 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 3duf h PRO 295 Cb 1.28 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3duf h PRO 295 CO 0.91 0.26 0.14 -0.07 -0.23 0.00 0.00 178.00 179.01 3duf h LEU 296 N 0.31 0.98 0.12 1.56 3.38 -1.90 -2.61 115.31 117.15 3duf h LEU 296 Ca 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3duf h LEU 296 Cb 0.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3duf h LEU 296 CO -0.01 0.95 -0.06 0.58 0.09 0.00 0.00 178.44 180.00 3duf h VAL 297 N 0.98 0.95 -0.45 1.22 2.07 -1.85 -1.23 116.25 117.95 3duf h VAL 297 Ca 0.20 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 3duf h VAL 297 Cb 0.37 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3duf h VAL 297 CO 0.00 0.07 -0.28 0.08 0.02 0.00 0.00 177.57 177.46 3duf h ARG 298 N -0.28 0.99 -0.08 1.57 0.11 -1.56 -2.57 114.38 112.55 3duf h ARG 298 Ca -0.02 -0.46 -0.10 0.00 0.10 0.00 0.00 59.98 59.51 3duf h ARG 298 Cb 0.23 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 3duf h ARG 298 CO 0.03 1.13 -0.41 0.35 0.10 0.00 0.00 179.97 181.17 3duf h PHE 299 N 0.83 0.19 -0.57 4.08 3.57 -1.50 -1.56 116.94 121.99 3duf h PHE 299 Ca 0.09 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3duf h PHE 299 Cb 0.87 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3duf h PHE 299 CO 0.06 0.55 0.10 -0.09 -2.23 0.00 0.00 178.31 176.70 3duf h ARG 300 N 0.14 0.93 -0.36 1.11 2.43 -1.02 -2.21 114.38 115.39 3duf h ARG 300 Ca 0.01 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 58.81 3duf h ARG 300 Cb 0.78 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3duf h ARG 300 CO 0.06 0.88 -0.31 0.87 -1.51 0.00 0.00 179.97 179.96 3duf h LYS 301 N 0.82 0.80 -0.07 0.20 1.57 -1.11 -0.52 116.57 118.26 3duf h LYS 301 Ca 0.17 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3duf h LYS 301 Cb 0.39 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3duf h LYS 301 CO 0.01 1.00 -0.10 0.35 -0.57 0.00 0.00 179.45 180.13 3duf h PHE 302 N 0.67 -0.26 -0.27 -1.35 3.57 -1.10 -1.53 116.94 116.67 3duf h PHE 302 Ca 0.07 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3duf h PHE 302 Cb 0.85 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 3duf h PHE 302 CO 0.05 -0.16 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.82 3duf h LEU 303 N -0.14 0.55 -2.64 0.59 3.38 -1.29 -2.77 115.31 112.98 3duf h LEU 303 Ca 0.06 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3duf h LEU 303 Cb 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3duf h LEU 303 CO -0.16 0.80 0.05 -0.33 0.09 0.00 0.00 178.44 178.89 3duf h GLU 304 N 0.29 0.00 -0.00 1.13 5.08 -0.95 0.28 114.58 120.41 3duf h GLU 304 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3duf h GLU 304 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3duf h GLU 304 CO 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.03 3duf n ALA 305 N -2.19 2.35 -0.01 3.43 0.00 -0.59 -3.06 120.51 120.43 3duf n ALA 305 Ca -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.33 3duf n ALA 305 Cb 0.12 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.15 3duf n ALA 305 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3duf n LYS 306 N -1.49 2.21 -2.84 0.00 5.02 0.93 -4.98 118.16 117.01 3duf n LYS 306 Ca 0.07 -1.46 -0.19 0.00 -2.02 0.00 0.00 58.31 54.71 3duf n LYS 306 Cb 0.34 -1.08 0.03 0.00 -0.02 0.00 0.00 35.03 34.29 3duf n LYS 306 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3duf n GLY 307 N -0.10 -0.36 0.67 0.72 0.00 -0.80 -4.90 105.19 100.42 3duf n GLY 307 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3duf n GLY 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3duf n LEU 308 N -3.40 3.15 -3.64 0.99 4.77 -0.78 -4.99 117.00 113.09 3duf n LEU 308 Ca -0.12 -2.30 -0.09 0.00 -0.03 0.00 0.00 56.01 53.47 3duf n LEU 308 Cb 0.61 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3duf n LEU 308 CO 0.39 0.70 0.34 0.86 -1.33 0.00 0.00 177.39 178.35 3duf s TRP 309 N -1.54 -0.96 0.11 -1.77 -0.11 -1.26 -4.89 118.94 108.52 3duf s TRP 309 Ca 0.28 2.02 0.03 0.00 1.22 0.00 0.00 56.10 59.64 3duf s TRP 309 Cb 0.18 0.52 -0.04 0.00 -1.50 0.00 0.00 33.47 32.63 3duf s TRP 309 CO 0.13 -0.48 -0.09 -1.54 -4.62 0.00 0.00 176.95 170.35 3duf s SER 310 N 1.31 1.42 0.33 5.86 1.04 -1.26 -4.54 113.70 117.86 3duf s SER 310 Ca -0.08 -0.94 0.24 0.00 0.48 0.00 0.00 55.95 55.66 3duf s SER 310 Cb -0.05 0.04 1.18 0.00 0.10 0.00 0.00 66.02 67.28 3duf s SER 310 CO -0.14 -0.36 1.73 1.05 0.98 0.00 0.00 173.24 176.50 3duf h GLU 311 N 3.12 0.00 -0.22 4.02 4.11 -2.02 -1.70 114.58 121.90 3duf h GLU 311 Ca -0.36 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.90 3duf h GLU 311 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3duf h GLU 311 CO 0.60 0.00 -0.53 0.93 0.07 0.00 0.00 179.01 180.08 3duf h GLU 312 N 0.00 0.74 -0.02 1.06 5.08 -1.99 -2.04 114.58 117.41 3duf h GLU 312 Ca 0.00 -0.51 -0.14 0.00 -1.00 0.00 0.00 59.36 57.71 3duf h GLU 312 Cb 0.16 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3duf h GLU 312 CO 0.00 1.13 -0.64 0.93 -1.00 0.00 0.00 179.01 179.43 3duf h GLU 313 N 0.46 0.08 -0.26 2.33 5.08 -1.73 -2.72 114.58 117.82 3duf h GLU 313 Ca -0.01 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 3duf h GLU 313 Cb 1.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3duf h GLU 313 CO 0.12 0.69 -0.58 1.49 -1.00 0.00 0.00 179.01 179.72 3duf h GLU 314 N 0.06 0.84 0.00 2.33 4.81 -1.42 -2.56 114.58 118.63 3duf h GLU 314 Ca -0.01 -0.55 -0.10 0.00 -0.13 0.00 0.00 59.36 58.57 3duf h GLU 314 Cb 1.14 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3duf h GLU 314 CO 0.09 1.18 -0.47 -0.91 -0.73 0.00 0.00 179.01 178.17 3duf h ASN 315 N 0.63 0.00 0.42 1.04 2.35 -1.38 -0.80 115.58 117.84 3duf h ASN 315 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3duf h ASN 315 Cb 1.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 3duf h ASN 315 CO 0.13 0.47 -0.44 0.78 -1.65 0.00 0.00 177.43 176.71 3duf h ASN 316 N 0.00 0.03 0.57 5.81 4.21 -1.36 -0.12 115.58 124.72 3duf h ASN 316 Ca -0.00 -0.01 -0.29 0.00 1.21 0.00 0.00 56.30 57.21 3duf h ASN 316 Cb 1.02 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 3duf h ASN 316 CO 0.06 0.47 -1.33 0.58 -1.29 0.00 0.00 177.43 175.93 3duf h VAL 317 N 0.02 1.41 -0.71 2.81 2.07 -1.07 -2.32 116.25 118.46 3duf h VAL 317 Ca -0.00 -2.98 -0.04 0.00 0.82 0.00 0.00 66.70 64.50 3duf h VAL 317 Cb 0.80 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 3duf h VAL 317 CO 0.06 0.87 0.29 0.40 0.02 0.00 0.00 177.57 179.21 3duf h ILE 318 N 0.08 1.25 0.21 4.57 1.08 -0.81 -0.60 117.51 123.28 3duf h ILE 318 Ca -0.17 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 3duf h ILE 318 Cb 2.00 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 3duf h ILE 318 CO 0.20 0.31 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.54 3duf h GLU 319 N 1.02 -0.27 -0.84 2.37 3.07 -1.06 -1.70 114.58 117.16 3duf h GLU 319 Ca 0.24 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 59.24 3duf h GLU 319 Cb 0.21 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 3duf h GLU 319 CO -0.02 0.01 0.55 0.37 -1.40 0.00 0.00 179.01 178.52 3duf h GLN 320 N -0.56 0.67 0.43 2.33 4.15 -1.34 -1.38 115.11 119.41 3duf h GLN 320 Ca -0.03 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 3duf h GLN 320 Cb 0.41 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3duf h GLN 320 CO 0.05 0.44 -0.21 0.00 -1.93 0.00 0.00 178.83 177.19 3duf h ALA 321 N 1.60 -0.57 -0.47 3.38 0.00 -0.93 -2.18 119.26 120.08 3duf h ALA 321 Ca 0.41 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3duf h ALA 321 Cb 0.61 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3duf h ALA 321 CO -0.17 -0.67 0.10 0.87 0.00 0.00 0.00 179.25 179.38 3duf h LYS 322 N -0.88 0.23 -0.45 0.00 1.79 -0.97 0.06 116.57 116.36 3duf h LYS 322 Ca -0.06 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.47 3duf h LYS 322 Cb 0.56 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 3duf h LYS 322 CO 0.10 0.15 0.09 1.49 -1.08 0.00 0.00 179.45 180.20 3duf h GLU 323 N 0.24 0.22 -0.43 3.15 4.22 -1.28 -0.91 114.58 119.79 3duf h GLU 323 Ca 0.23 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.54 3duf h GLU 323 Cb 0.30 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3duf h GLU 323 CO -0.30 0.14 -0.19 0.93 -2.18 0.00 0.00 179.01 177.42 3duf h GLU 324 N 0.23 0.88 -0.59 1.92 5.08 -0.84 -2.57 114.58 118.68 3duf h GLU 324 Ca 0.22 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3duf h GLU 324 Cb 0.28 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3duf h GLU 324 CO -0.29 1.02 0.30 0.82 -1.00 0.00 0.00 179.01 179.87 3duf h ILE 325 N 0.70 0.93 -0.95 3.13 1.08 -0.58 -0.55 117.51 121.27 3duf h ILE 325 Ca 0.10 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3duf h ILE 325 Cb 0.75 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 3duf h ILE 325 CO 0.06 0.10 0.62 0.50 -0.69 0.00 0.00 178.15 178.74 3duf h LYS 326 N 0.56 1.13 -0.05 2.37 3.64 -1.03 -1.93 116.57 121.26 3duf h LYS 326 Ca 0.27 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.37 3duf h LYS 326 Cb 0.20 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3duf h LYS 326 CO -0.19 0.75 -0.84 0.93 -2.27 0.00 0.00 179.45 177.82 3duf h GLU 327 N 1.16 0.47 -0.64 1.90 4.39 -0.87 -2.87 114.58 118.12 3duf h GLU 327 Ca 0.39 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 3duf h GLU 327 Cb 0.08 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3duf h GLU 327 CO -0.13 1.08 0.25 0.00 -1.16 0.00 0.00 179.01 179.05 3duf h ALA 328 N 0.78 0.84 -0.72 3.43 0.00 -0.81 -1.72 119.26 121.06 3duf h ALA 328 Ca -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3duf h ALA 328 Cb 1.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3duf h ALA 328 CO 0.15 0.46 0.30 0.82 0.00 0.00 0.00 179.25 180.97 3duf h ILE 329 N 0.91 1.24 -0.02 0.00 1.08 -1.37 -1.46 117.51 117.90 3duf h ILE 329 Ca 0.21 -0.75 -0.15 0.00 -0.39 0.00 0.00 64.86 63.78 3duf h ILE 329 Cb 0.21 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3duf h ILE 329 CO -0.02 0.30 -0.69 0.11 -0.69 0.00 0.00 178.15 177.17 3duf h LYS 330 N 1.04 0.11 -0.09 2.37 1.79 -1.26 -2.95 116.57 117.57 3duf h LYS 330 Ca 0.24 -0.09 -0.15 0.00 -2.18 0.00 0.00 60.65 58.48 3duf h LYS 330 Cb 0.18 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3duf h LYS 330 CO -0.02 0.75 -0.59 0.87 -1.08 0.00 0.00 179.45 179.38 3duf h LYS 331 N 0.07 0.31 0.00 3.15 1.57 -0.99 -2.58 116.57 118.10 3duf h LYS 331 Ca -0.01 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 3duf h LYS 331 Cb 1.23 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3duf h LYS 331 CO 0.10 0.81 -0.57 0.00 -0.57 0.00 0.00 179.45 179.22 3duf h ALA 332 N 1.14 0.88 -0.03 3.86 0.00 -1.24 -3.11 119.26 120.76 3duf h ALA 332 Ca -0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 3duf h ALA 332 Cb 1.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3duf h ALA 332 CO 0.10 0.72 -0.83 -0.44 0.00 0.00 0.00 179.25 178.79 3duf h ASP 333 N 0.00 0.43 0.49 0.00 3.32 -1.41 -3.09 116.42 116.16 3duf h ASP 333 Ca -0.01 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3duf h ASP 333 Cb 1.14 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3duf h ASP 333 CO 0.07 1.09 0.00 -0.62 -1.72 0.00 0.00 179.24 178.06 3duf n GLU 334 N -3.76 0.17 -2.18 3.56 1.02 -0.98 -4.79 120.64 113.68 3duf n GLU 334 Ca -0.05 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 3duf n GLU 334 Cb 0.77 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 3duf n GLU 334 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3duf s THR 335 N -2.74 3.48 0.31 2.62 2.01 -1.17 -4.95 115.64 115.19 3duf s THR 335 Ca 0.15 0.98 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 3duf s THR 335 Cb 0.13 -3.63 -0.12 0.00 0.01 0.00 0.00 72.50 68.89 3duf s THR 335 CO 0.32 0.04 1.43 -2.65 -0.69 0.00 0.00 174.62 173.07 3duf n PRO 336 N 4.67 2.34 -0.79 4.92 -0.02 -1.26 -4.94 135.00 139.92 3duf n PRO 336 Ca 0.12 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 62.10 3duf n PRO 336 Cb 0.43 -2.50 0.12 0.00 -0.02 0.00 0.00 33.50 31.53 3duf n PRO 336 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3duf n LYS 337 N 1.36 -0.30 -3.32 -0.52 0.00 -1.26 -4.97 118.16 109.15 3duf n LYS 337 Ca 0.07 -0.04 -0.38 0.00 -0.00 0.00 0.00 58.31 57.95 3duf n LYS 337 Cb 0.35 -1.90 -0.06 0.00 -0.00 0.00 0.00 35.03 33.42 3duf n LYS 337 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3duf s GLN 338 N -3.71 4.15 0.09 -1.58 -0.21 -1.26 -5.09 119.66 112.05 3duf s GLN 338 Ca 0.58 0.66 0.09 0.00 0.02 0.00 0.00 55.36 56.71 3duf s GLN 338 Cb -0.21 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 3duf s GLN 338 CO 0.67 0.63 -0.20 0.15 -2.12 0.00 0.00 175.29 174.42 3duf s LYS 339 N -1.04 1.81 0.61 2.91 1.02 -1.26 -5.02 119.74 118.78 3duf s LYS 339 Ca 0.28 -1.14 0.37 0.00 0.02 0.00 0.00 55.97 55.49 3duf s LYS 339 Cb -0.19 -2.10 2.03 0.00 -0.52 0.00 0.00 37.83 37.05 3duf s LYS 339 CO 0.18 0.49 2.27 0.28 -0.92 0.00 0.00 175.35 177.65 3duf h VAL 340 N 3.74 0.24 0.00 3.17 2.07 -1.98 0.25 116.25 123.74 3duf h VAL 340 Ca -0.49 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 3duf h VAL 340 Cb 1.16 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3duf h VAL 340 CO 0.45 0.02 -0.58 0.71 0.02 0.00 0.00 177.57 178.19 3duf h THR 341 N 0.00 1.09 -0.05 2.57 1.35 -1.94 -2.65 112.91 113.27 3duf h THR 341 Ca -0.00 -2.26 -0.15 0.00 -0.55 0.00 0.00 66.41 63.45 3duf h THR 341 Cb 0.09 2.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 3duf h THR 341 CO 0.00 0.57 -0.64 0.44 -0.25 0.00 0.00 175.52 175.64 3duf h ASP 342 N 0.00 0.24 0.79 5.36 3.32 -0.93 -1.97 116.42 123.24 3duf h ASP 342 Ca -0.01 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 3duf h ASP 342 Cb 1.30 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3duf h ASP 342 CO 0.08 0.81 -0.65 -0.07 -1.72 0.00 0.00 179.24 177.68 3duf h LEU 343 N 0.15 0.00 -0.03 1.55 3.38 -1.29 -3.25 115.31 115.82 3duf h LEU 343 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3duf h LEU 343 Cb 1.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.92 3duf h LEU 343 CO 0.10 0.65 -0.85 0.40 0.09 0.00 0.00 178.44 178.84 3duf h ILE 344 N 0.00 1.32 0.00 1.22 2.04 -1.31 -3.32 117.51 117.46 3duf h ILE 344 Ca -0.01 -2.13 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 3duf h ILE 344 Cb 1.23 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3duf h ILE 344 CO 0.09 0.65 -0.05 0.28 0.00 0.00 0.00 178.15 179.12 3duf h SER 345 N 0.26 0.00 -0.68 1.72 0.02 -1.39 -2.70 113.55 110.77 3duf h SER 345 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3duf h SER 345 Cb 1.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.05 3duf h SER 345 CO 0.17 0.05 0.00 2.30 -1.14 0.00 0.00 176.83 178.20 3duf n ILE 346 N -4.02 1.15 0.04 3.27 -5.35 -1.23 -4.43 119.36 108.78 3duf n ILE 346 Ca -0.03 -0.98 -0.19 0.00 -0.27 0.00 0.00 62.75 61.28 3duf n ILE 346 Cb 0.13 0.37 -0.13 0.00 -1.74 0.00 0.00 39.64 38.27 3duf n ILE 346 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 3duf h MET 347 N 4.05 0.37 -4.62 6.28 2.86 -1.59 -3.48 114.93 118.80 3duf h MET 347 Ca 0.00 -0.52 -0.25 0.00 -2.06 0.00 0.00 59.70 56.88 3duf h MET 347 Cb 1.06 0.18 -0.15 0.00 0.06 0.00 0.00 31.60 32.75 3duf h MET 347 CO 0.06 1.20 -0.64 -0.06 1.06 0.00 0.00 176.91 178.54 3duf s PHE 348 N -2.76 1.13 0.01 -0.22 0.08 -1.26 -5.05 117.98 109.91 3duf s PHE 348 Ca -0.13 -1.24 -0.19 0.00 0.12 0.00 0.00 56.93 55.49 3duf s PHE 348 Cb 0.02 -0.61 -0.24 0.00 -0.57 0.00 0.00 43.02 41.62 3duf s PHE 348 CO 0.84 -0.48 1.10 1.49 -0.10 0.00 0.00 175.22 178.07 3duf h GLU 349 N 2.68 0.46 -4.51 0.44 4.81 -1.93 -3.42 114.58 113.11 3duf h GLU 349 Ca -0.36 -0.50 -0.60 0.00 -0.13 0.00 0.00 59.36 57.77 3duf h GLU 349 Cb 1.22 0.15 -0.37 0.00 0.63 0.00 0.00 28.75 30.38 3duf h GLU 349 CO 0.58 1.15 -0.81 -2.00 -0.73 0.00 0.00 179.01 177.20 3duf s GLU 350 N -3.18 1.97 0.15 1.92 2.56 -1.26 -5.11 118.70 115.75 3duf s GLU 350 Ca -0.13 -0.70 -0.31 0.00 0.00 0.00 0.00 54.97 53.83 3duf s GLU 350 Cb 0.04 -2.24 -0.11 0.00 2.00 0.00 0.00 34.13 33.82 3duf s GLU 350 CO 0.84 -0.38 1.79 -0.51 -0.56 0.00 0.00 175.26 176.44 3duf s LEU 351 N 1.47 4.39 0.87 2.70 1.43 -1.26 -5.01 118.68 123.26 3duf s LEU 351 Ca 0.01 2.77 -0.12 0.00 -1.03 0.00 0.00 54.13 55.76 3duf s LEU 351 Cb -0.15 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.60 3duf s LEU 351 CO -0.09 -0.99 1.13 -2.16 0.23 0.00 0.00 176.35 174.47 3duf s PRO 352 N 2.26 1.52 0.23 1.29 0.04 -1.26 -4.79 135.00 134.29 3duf s PRO 352 Ca 0.79 0.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.12 3duf s PRO 352 Cb -0.47 -1.87 0.35 0.00 0.04 0.00 0.00 34.50 32.55 3duf s PRO 352 CO 0.35 -1.96 1.64 0.35 0.04 0.00 0.00 177.00 177.42 3duf h PHE 353 N -1.33 -0.11 0.00 0.56 3.57 -2.00 -2.44 116.94 115.19 3duf h PHE 353 Ca -0.49 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 3duf h PHE 353 Cb 1.31 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 3duf h PHE 353 CO 0.35 -0.22 -0.16 -2.95 -2.23 0.00 0.00 178.31 173.10 3duf h ASN 354 N 0.09 0.00 1.27 0.41 -1.07 -2.01 -2.48 115.58 111.78 3duf h ASN 354 Ca 0.36 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.69 3duf h ASN 354 Cb 0.60 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.85 3duf h ASN 354 CO -0.62 0.16 -0.75 -0.07 0.07 0.00 0.00 177.43 176.22 3duf h LEU 355 N 0.00 0.00 -0.17 6.14 3.38 -1.81 -3.07 115.31 119.78 3duf h LEU 355 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3duf h LEU 355 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3duf h LEU 355 CO 0.02 0.17 -0.07 0.11 0.09 0.00 0.00 178.44 178.76 3duf h LYS 356 N 0.00 0.35 0.37 1.13 1.57 -1.12 0.19 116.57 119.06 3duf h LYS 356 Ca -0.03 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3duf h LYS 356 Cb 1.16 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3duf h LYS 356 CO 0.02 0.65 -0.40 0.93 -0.57 0.00 0.00 179.45 180.08 3duf h GLU 357 N 0.03 -0.77 -0.89 3.15 5.08 -1.58 -1.97 114.58 117.63 3duf h GLU 357 Ca 0.04 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3duf h GLU 357 Cb 0.55 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3duf h GLU 357 CO 0.02 -0.51 0.58 1.96 -1.00 0.00 0.00 179.01 180.06 3duf h GLN 358 N -0.79 0.93 -0.49 2.33 4.20 -1.51 -0.34 115.11 119.43 3duf h GLN 358 Ca -0.03 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.67 3duf h GLN 358 Cb 0.72 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 3duf h GLN 358 CO -0.08 0.61 0.25 -0.92 -0.67 0.00 0.00 178.83 178.03 3duf h TYR 359 N 0.95 0.47 -0.02 2.96 5.03 -0.18 0.15 116.97 126.33 3duf h TYR 359 Ca 0.40 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.73 3duf h TYR 359 Cb 0.30 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 3duf h TYR 359 CO -0.00 0.23 0.01 0.93 -1.32 0.00 0.00 178.16 178.01 3duf h GLU 360 N 0.50 0.04 -0.96 1.82 4.39 -0.51 -0.37 114.58 119.48 3duf h GLU 360 Ca 0.21 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.05 3duf h GLU 360 Cb 0.11 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.66 3duf h GLU 360 CO -0.14 0.19 0.58 0.82 -1.16 0.00 0.00 179.01 179.30 3duf h ILE 361 N -0.13 0.83 0.00 3.13 2.04 -0.56 -1.48 117.51 121.33 3duf h ILE 361 Ca 0.01 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3duf h ILE 361 Cb 0.17 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3duf h ILE 361 CO -0.00 0.16 -0.45 -1.22 0.00 0.00 0.00 178.15 176.64 3duf n TYR 362 N -4.71 0.00 0.12 1.37 4.02 0.48 -3.31 117.16 115.12 3duf n TYR 362 Ca 0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.07 3duf n TYR 362 Cb 0.42 -0.28 0.05 0.00 -0.02 0.00 0.00 39.34 39.51 3duf n TYR 362 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3duf h LYS 363 N 0.00 0.00 0.17 -0.72 3.64 0.02 -2.87 116.57 116.81 3duf h LYS 363 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 3duf h LYS 363 Cb 0.50 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3duf h LYS 363 CO 0.00 0.70 -0.96 0.93 -2.27 0.00 0.00 179.45 177.85 3duf h GLU 364 N 0.00 0.35 0.00 1.90 4.39 -1.58 -3.26 114.58 116.38 3duf h GLU 364 Ca -0.01 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3duf h GLU 364 Cb 1.40 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 3duf h GLU 364 CO 0.09 1.29 0.00 0.87 -1.16 0.00 0.00 179.01 180.10 3duf h LYS 365 N -0.26 0.00 -0.44 2.33 6.56 -1.60 -1.21 116.57 121.95 3duf h LYS 365 Ca -0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 3duf h LYS 365 Cb 1.76 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.42 3duf h LYS 365 CO 0.18 0.00 0.00 -0.85 -2.06 0.00 0.00 179.45 176.72 3duf n GLU 366 N -2.53 2.49 -3.31 3.15 -0.00 -1.09 -4.57 120.64 114.78 3duf n GLU 366 Ca -0.01 -2.26 -0.27 0.00 -0.00 0.00 0.00 57.16 54.63 3duf n GLU 366 Cb 0.13 -1.51 -0.07 0.00 -0.00 0.00 0.00 31.44 29.98 3duf n GLU 366 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3duf n SER 367 N 1.44 3.65 0.00 -1.84 3.41 -0.46 -5.08 113.62 114.74 3duf n SER 367 Ca 0.20 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 3duf n SER 367 Cb 0.59 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3duf n SER 367 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05